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

Systemtic Name: 2-[6,7-dimethoxy-2-[3-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O3/c1-28-18-11-13-7-9-26(17(6-8-25)16(13)12-19(18)29-2)20(27)14-4-3-5-15(10-14)21(22,23)24/h3-5,10-12,17H,6-7,9H2,1-2H3