1-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one

Systemtic Name: 1-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 1-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 1-phenyl-5-[3-(4-phenyl-1-piperazinyl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 1-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 1-phenyl-5-[3-(4-phenylpiperazino)propyl]-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CN2C3=CC=CC=C3)C(=O)N(C1)CCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CN2C3=CC=CC=C3)C(=O)N(C1)CCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O/c32-27-25-14-18-31(24-11-5-2-6-12-24)26(25)13-7-16-30(27)17-8-15-28-19-21-29(22-20-28)23-9-3-1-4-10-23/h1-6,9-12,14,18H,7-8,13,15-17,19-22H2