5,6-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 5,6-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[3-(3-pyridinyl)propyl]-3-piperidinyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)OC

InChI

InChI=1S/C24H31N3O3/c1-29-22-13-19-20(14-23(22)30-2)24(28)26-21(19)12-18-8-5-11-27(16-18)10-4-7-17-6-3-9-25-15-17/h3,6,9,13-15,18,21H,4-5,7-8,10-12,16H2,1-2H3,(H,26,28)