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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C)C

InChI

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