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

Systemtic Name: 2-(4-methylphenyl)-5-(4-methylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-methylpiperazine-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-[(4-methyl-1-piperazinyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 5-(4-methylpiperazine-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-14-3-6-16(7-4-14)24-20(26)17-8-5-15(13-18(17)21(24)27)19(25)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3