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

Systemtic Name: 2-(phenylmethyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,4-c]azepin-4-one Openeye Name: 2-benzyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,4-c]azepin-4-one CAS Name: 2-(phenylmethyl)-5-[3-(4-phenyl-1-piperazinyl)propyl]-6H-pyrrolo[3,4-c]azepin-4-one IUPAC Name: 2-benzyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,4-c]azepin-4-one Traditional Name: 2-benzyl-5-[3-(4-phenylpiperazino)propyl]-6H-pyrrol[3,4-c]azepin-4-one Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CC=CC3=CN(C=C3C2=O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2CC=CC3=CN(C=C3C2=O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O/c33-28-27-23-30(21-24-9-3-1-4-10-24)22-25(27)11-7-15-32(28)16-8-14-29-17-19-31(20-18-29)26-12-5-2-6-13-26/h1-7,9-13,22-23H,8,14-21H2