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

Systemtic Name: 4-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3,5-dimethylbenzoyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5)C

InChI

InChI=1S/C27H26N4O3/c1-18-13-19(2)15-21(14-18)25(32)30-11-9-29(10-12-30)23-7-3-6-22-24(23)27(34)31(26(22)33)17-20-5-4-8-28-16-20/h3-8,13-16H,9-12,17H2,1-2H3