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

Systemtic Name: 3-methyl-1-(phenylmethyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 1-benzyl-3-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 3-methyl-1-(phenylmethyl)-5-[3-(4-phenyl-1-piperazinyl)propyl]-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 1-benzyl-3-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 1-benzyl-3-methyl-5-[3-(4-phenylpiperazino)propyl]-6H-pyrrol[3,2-c]azepin-4-one Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C(=O)N(CC=C2)CCCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CN(C2=C1C(=O)N(CC=C2)CCCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O/c1-24-22-33(23-25-10-4-2-5-11-25)27-14-8-16-32(29(34)28(24)27)17-9-15-30-18-20-31(21-19-30)26-12-6-3-7-13-26/h2-8,10-14,22H,9,15-21,23H2,1H3