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

Systemtic Name: 5,6-dimethoxy-2-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-3-azepanyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[[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)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CCN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

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