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

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-pyridin-2-yl-isoindole-1,3-dione Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-pyridyl)isoindoline-1,3-dione CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(2-pyridinyl)isoindole-1,3-dione IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-pyridin-2-ylisoindole-1,3-dione Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-pyridyl)isoindoline-1,3-quinone Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=N5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=N5)C

InChI

InChI=1S/C26H24N4O3/c1-17-6-5-7-22(18(17)2)28-12-14-29(15-13-28)24(31)19-9-10-20-21(16-19)26(33)30(25(20)32)23-8-3-4-11-27-23/h3-11,16H,12-15H2,1-2H3