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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CC=CC3=C(C2=O)C=CN3CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2CC=CC3=C(C2=O)C=CN3CC4=CC=CC=C4)C5=CC=CC=C5

InChI

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