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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-19-11-16-8-10-24(13-17(16)12-20(19)27-2)14-21(25)23-18-5-3-15(4-6-18)7-9-22/h3-6,11-12H,7-8,10,13-14H2,1-2H3,(H,23,25)