1-[4-[4-(2-methylphenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione

Systemtic Name: 1-[4-[4-(2-methylphenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[4-[4-(o-tolyl)piperazin-1-yl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[4-[4-(2-methylphenyl)-1-piperazinyl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[4-[4-(2-methylphenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[4-[4-(o-tolyl)piperazino]pentyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(C)CCCN3C(=O)CCC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(C)CCCN3C(=O)CCC(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H33N3O2/c1-20-8-3-5-11-23(20)28-18-16-27(17-19-28)21(2)9-7-15-29-24-12-6-4-10-22(24)25(30)13-14-26(29)31/h3-6,8,10-12,21H,7,9,13-19H2,1-2H3