119146
  -OEChem-10101305022D

 58 61  0     1  0  0  0  0  0999 V2000
    2.0000   -2.2641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788   -2.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    0.2770    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.0000   -0.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -1.0321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3479   -1.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    1.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6389    2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9916    2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    3.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826    0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -2.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826   -1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174   -1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077   -2.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077    0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174    0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1554   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6677    0.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    0.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834   -2.1214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8494   -1.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7123   -1.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923   -2.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826   -1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5544    1.8423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8858    0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077   -0.7875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174   -1.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    3.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    2.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4691    3.7198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -3.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -0.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -3.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 12  2  0  0  0  0
  3 24  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  2  0  0  0  0
 19 49  1  0  0  0  0
 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  2  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  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 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
119146

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHwAAAAAADIzBmAwzwIMAAACIAqVSUACCAAAlAgAIiAGIZMiIYDLA1bGUIQhogwLIyacciICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-[4-(4-fluorophenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_NAME>
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-[4-(4-fluorophenyl)-4-keto-butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
QHJLPOSPWKZACG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
409.216555

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
409.496423

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
43.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
409.216555

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  18  8
15  19  8
18  21  8
19  22  8
21  23  8
22  23  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8

$$$$