7,8-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-1H-3-benzazepin-2-one

Systemtic Name: 7,8-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-1H-3-benzazepin-2-one Openeye Name: 7,8-dimethoxy-3-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-3-azepanyl]methyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-1H-3-benzazepin-2-one Traditional Name: 7,8-dimethoxy-3-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]-1H-3-benzazepin-2-one Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCN2CCCCC(C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CCN2CCCCC(C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

InChI

InChI=1S/C27H35N3O3/c1-20-7-6-9-24(28-20)11-13-29-12-5-4-8-21(18-29)19-30-14-10-22-15-25(32-2)26(33-3)16-23(22)17-27(30)31/h6-7,9-10,14-16,21H,4-5,8,11-13,17-19H2,1-3H3