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

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[(4-benzoyl-1-piperazinyl)-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

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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)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c1-18-7-5-6-10-23(18)30-26(33)21-12-11-20(17-22(21)27(30)34)25(32)29-15-13-28(14-16-29)24(31)19-8-3-2-4-9-19/h2-12,17H,13-16H2,1H3