2-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2,4-dimethoxyphenyl)methyl]-4-[4-[2-(3-pyridyl)piperidine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[(2,4-dimethoxyphenyl)methyl]-4-[4-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-pyridin-3-ylpiperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2,4-dimethoxybenzyl)-4-[4-[2-(3-pyridyl)piperidine-1-carbonyl]piperidino]isoindoline-1,3-quinone Formula: C33H36N4O5 MolecularWeight: 568.66274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCC5C6=CN=CC=C6)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCC5C6=CN=CC=C6)OC

InChI

InChI=1S/C33H36N4O5/c1-41-25-12-11-24(29(19-25)42-2)21-37-32(39)26-8-5-10-28(30(26)33(37)40)35-17-13-22(14-18-35)31(38)36-16-4-3-9-27(36)23-7-6-15-34-20-23/h5-8,10-12,15,19-20,22,27H,3-4,9,13-14,16-18,21H2,1-2H3