2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H37N3O4/c1-31-22-15-20-9-14-28(17-21(20)16-23(22)32-2)24(29)18-26-12-7-19(8-13-26)25(30)27-10-5-3-4-6-11-27/h15-16,19H,3-14,17-18H2,1-2H3