N-[4-(azepan-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C25H33N3O3/c1-30-23-15-19-11-14-27(17-20(19)16-24(23)31-2)18-25(29)26-21-7-9-22(10-8-21)28-12-5-3-4-6-13-28/h7-10,15-16H,3-6,11-14,17-18H2,1-2H3,(H,26,29)