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

Systemtic Name: 2-(2-methylphenyl)-5-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 2-(2-methylphenyl)-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 5-(4-isobutyrylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C24H25N3O4 MolecularWeight: 419.473

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-15(2)21(28)25-10-12-26(13-11-25)22(29)17-8-9-18-19(14-17)24(31)27(23(18)30)20-7-5-4-6-16(20)3/h4-9,14-15H,10-13H2,1-3H3