1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)-1-pyrazolyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Formula: C21H20F3N3O3S MolecularWeight: 451.46201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C=CC(=N3)C(F)(F)F)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C=CC(=N3)C(F)(F)F)C4=CC=CS4)OC

InChI

InChI=1S/C21H20F3N3O3S/c1-29-15-10-13-5-8-27(19(28)12-26-7-6-18(25-26)21(22,23)24)20(17-4-3-9-31-17)14(13)11-16(15)30-2/h3-4,6-7,9-11,20H,5,8,12H2,1-2H3