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

Systemtic Name: 1-[5-[4-(1-phenylethyl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[5-[4-(1-phenylethyl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[1-oxo-5-[4-(1-phenylethyl)-1-piperazinyl]pentyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[5-[4-(1-phenylethyl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[5-[4-(1-phenylethyl)piperazino]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)CCCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)CCCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43

InChI

InChI=1S/C27H33N3O3/c1-21(22-9-3-2-4-10-22)29-19-17-28(18-20-29)16-8-7-13-26(32)30-24-12-6-5-11-23(24)25(31)14-15-27(30)33/h2-6,9-12,21H,7-8,13-20H2,1H3