2-[1-(azepan-1-yl)-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-1-(p-tolylmethyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-(4-methylphenyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-(4-methylbenzyl)ethyl]isoindoline-1,3-quinone Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H26N2O3/c1-17-10-12-18(13-11-17)16-21(24(29)25-14-6-2-3-7-15-25)26-22(27)19-8-4-5-9-20(19)23(26)28/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3