5,6-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 5,6-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-3-azepanyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]isoindolin-1-one Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCN2CCCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CCN2CCCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

InChI

InChI=1S/C25H33N3O3/c1-17-7-6-9-19(26-17)10-12-28-11-5-4-8-18(16-28)13-22-20-14-23(30-2)24(31-3)15-21(20)25(29)27-22/h6-7,9,14-15,18,22H,4-5,8,10-13,16H2,1-3H3,(H,27,29)