2-[6,7-dimethoxy-2-[4-(trifluoromethyloxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-[4-(trifluoromethyloxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)OC(F)(F)F)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)OC(F)(F)F)CC#N)OC

InChI

InChI=1S/C21H19F3N2O4/c1-28-18-11-14-8-10-26(17(7-9-25)16(14)12-19(18)29-2)20(27)13-3-5-15(6-4-13)30-21(22,23)24/h3-6,11-12,17H,7-8,10H2,1-2H3