2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H18F3N3O MolecularWeight: 385.38233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC4=CC=CC=C4C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC4=CC=CC=C4C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O/c1-28-17-8-4-7-15(11-17)18-12-19(21(22,23)24)26-20(25-18)27-10-9-14-5-2-3-6-16(14)13-27/h2-8,11-12H,9-10,13H2,1H3