2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C23H27N3O3/c1-16-7-8-18(13-17(16)2)25-11-9-24(10-12-25)14-19(27)15-26-22(28)20-5-3-4-6-21(20)23(26)29/h3-8,13,19,27H,9-12,14-15H2,1-2H3