1-[4-(3-methylphenyl)piperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(m-tolyl)piperazino]ethanone Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-22-7-5-10-24(19-22)28-15-17-29(18-16-28)25(30)21-27-12-6-11-26(13-14-27)20-23-8-3-2-4-9-23/h2-5,7-10,19H,6,11-18,20-21H2,1H3