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

Systemtic Name: 2-butyl-5-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(o-tolyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(2-methylphenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(o-tolyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C24H27N3O3/c1-3-4-11-27-23(29)19-10-9-18(16-20(19)24(27)30)22(28)26-14-12-25(13-15-26)21-8-6-5-7-17(21)2/h5-10,16H,3-4,11-15H2,1-2H3