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

Systemtic Name: 4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-p-toluoylpiperazino)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c1-18-7-9-20(10-8-18)24(31)29-14-12-28(13-15-29)22-6-2-5-21-23(22)26(33)30(25(21)32)17-19-4-3-11-27-16-19/h2-11,16H,12-15,17H2,1H3