5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(4-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(p-tolyl)isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C28H27N3O3/c1-18-7-10-22(11-8-18)31-27(33)23-12-9-21(17-24(23)28(31)34)26(32)30-15-13-29(14-16-30)25-6-4-5-19(2)20(25)3/h4-12,17H,13-16H2,1-3H3