2-[[3-(azepan-1-yl)-5-methyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(azepan-1-yl)-5-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(azepan-1-yl)-5-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(1-azepanyl)-5-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(azepan-1-yl)-5-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(azepan-1-yl)-5-methyl-benzyl]isoindoline-1,3-quinone Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCCCCC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCCCCC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N2O2/c1-16-12-17(14-18(13-16)23-10-6-2-3-7-11-23)15-24-21(25)19-8-4-5-9-20(19)22(24)26/h4-5,8-9,12-14H,2-3,6-7,10-11,15H2,1H3