65823
  -OEChem-10101305032D

 58 61  0     1  0  0  0  0  0999 V2000
    5.4641   -2.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5953    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.0953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -2.0953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302    4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    2.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2311    2.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4537    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766    1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9837    1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    3.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4442    3.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9814    1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790    1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    2.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132    2.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2521    0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681    4.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2716    4.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3888    4.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    4.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -0.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -1.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -1.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6402   -0.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387    1.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8216    1.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751    4.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    4.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261    1.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4342    1.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    3.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8049    3.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 12  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 22  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 19 25  1  0  0  0  0
 19 48  1  0  0  0  0
 20 26  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  2  0  0  0  0
 21 53  1  0  0  0  0
 22 25  2  0  0  0  0
 22 52  1  0  0  0  0
 23 27  1  0  0  0  0
 23 50  1  0  0  0  0
 24 28  2  0  0  0  0
 24 51  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65823

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAABgAAAAABUAAAHgAACAAADDzhmAYyAIMAAgCAAiBCAACCAAAgAAAIiAAICIgKNiKAkRGEcAAkwAGYmAeQwOAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)ethyl-methyl-amino]-1-phenyl-propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)ethyl-methylamino]-1-phenyl-1-propanol

> <PUBCHEM_IUPAC_NAME>
2-[2-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)ethyl-methylamino]-1-phenylpropan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)ethyl-methyl-amino]-1-phenyl-propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-(5,6-dihydrodibenzo[1,2-a:1',2'-e]cyclohepten-11-ylidene)ethyl-methyl-amino]-1-phenyl-propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H29NO/c1-20(27(29)23-12-4-3-5-13-23)28(2)19-18-26-24-14-8-6-10-21(24)16-17-22-11-7-9-15-25(22)26/h3-15,18,20,27,29H,16-17,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BHVGOYREXHCFOE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
383.224915

> <PUBCHEM_MOLECULAR_FORMULA>
C27H29NO

> <PUBCHEM_MOLECULAR_WEIGHT>
383.52526

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(C1=CC=CC=C1)O)N(C)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C(C1=CC=CC=C1)O)N(C)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.224915

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  1  3
10  12  8
10  18  8
11  19  8
12  20  8
15  23  8
15  24  8
17  22  8
18  21  8
19  25  8
20  26  8
21  26  8
22  25  8
23  27  8
24  28  8
27  29  8
28  29  8
3  14  3
9  11  8
9  17  8

$$$$