5-(4-ethanoylpiperazin-1-yl)carbonyl-2-(2-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-ethanoylpiperazin-1-yl)carbonyl-2-(2-methylphenyl)isoindole-1,3-dione Openeye Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-14-5-3-4-6-19(14)25-21(28)17-8-7-16(13-18(17)22(25)29)20(27)24-11-9-23(10-12-24)15(2)26/h3-8,13H,9-12H2,1-2H3