7,8-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)azepan-3-yl]methyl]-1H-3-benzazepin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3CCCCN(C3)CCCC4=CN=CC=C4)OC

InChI

InChI=1S/C27H35N3O3/c1-32-25-15-23-10-14-30(27(31)17-24(23)16-26(25)33-2)20-22-7-3-4-12-29(19-22)13-6-9-21-8-5-11-28-18-21/h5,8,10-11,14-16,18,22H,3-4,6-7,9,12-13,17,19-20H2,1-2H3