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

Systemtic Name: 4-[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[4-(o-tolyl)piperazine-1-carbonyl]-1-piperidyl]-2-(4-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[4-(o-tolyl)piperazine-1-carbonyl]piperidino]-2-(4-pyridylmethyl)isoindoline-1,3-quinone Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC=NC=C6

InChI

InChI=1S/C31H33N5O3/c1-22-5-2-3-7-26(22)34-17-19-35(20-18-34)29(37)24-11-15-33(16-12-24)27-8-4-6-25-28(27)31(39)36(30(25)38)21-23-9-13-32-14-10-23/h2-10,13-14,24H,11-12,15-21H2,1H3