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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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