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

Systemtic Name: 5-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(4-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(3,4-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(=C(C=C5)C)C

Isomeric SMILES

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

InChI

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