5-(azepan-1-ylcarbonyl)-2-(2-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H22N2O3/c1-15-8-4-5-9-19(15)24-21(26)17-11-10-16(14-18(17)22(24)27)20(25)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3