3052762
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 51 53  0     0  0  0  0  0  0999 V2000
    0.7419   -4.4657   -0.2977 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
3052762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAEgBAAAAHgIQAAAADC7hmCYyxoPABACIAiVSUACCCAAkJQAAiIEMTsgMJjaF9puGOWjm9hmI6Ye42fGeCCACIgAKABAQQAREABQAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-5-chloranyl-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidyl]coumaran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ZPMNHBXQOOVQJL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
367.166269

> <PUBCHEM_MOLECULAR_FORMULA>
C18H26ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
367.87034

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

> <PUBCHEM_CACTVS_TPSA>
76.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.166269

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  18  8
16  22  8
18  19  8
19  23  8
22  24  8
23  24  8

$$$$