3-[[1-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[[1-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[[1-[2-(6,7-dimethoxy-4-isoquinolyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[[1-[2-(6,7-dimethoxy-4-isoquinolinyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[[1-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[[1-[2-(6,7-dimethoxy-4-isoquinolyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C31H37N3O5 MolecularWeight: 531.64258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3CCCN(C3)CCC4=CN=CC5=CC(=C(C=C54)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3CCCN(C3)CCC4=CN=CC5=CC(=C(C=C54)OC)OC)OC

InChI

InChI=1S/C31H37N3O5/c1-36-27-12-22-8-11-34(31(35)15-24(22)13-28(27)37-2)20-21-6-5-9-33(19-21)10-7-23-17-32-18-25-14-29(38-3)30(39-4)16-26(23)25/h8,11-14,16-18,21H,5-7,9-10,15,19-20H2,1-4H3