4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethyloxy)phenyl]-1,2-dihydroisoquinolin-3-one

Systemtic Name: 4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethyloxy)phenyl]-1,2-dihydroisoquinolin-3-one Openeye Name: 4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one CAS Name: 4-methyl-4-(5-pyrimidinylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one IUPAC Name: 4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one Traditional Name: 4-methyl-4-(5-pyrimidylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one Formula: C22H18F3N3O2 MolecularWeight: 413.39243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=CC=C3)OC(F)(F)F)CC4=CN=CN=C4

Isomeric SMILES

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=CC=C3)OC(F)(F)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H18F3N3O2/c1-21(9-14-10-26-13-27-11-14)19-8-16(5-6-17(19)12-28-20(21)29)15-3-2-4-18(7-15)30-22(23,24)25/h2-8,10-11,13H,9,12H2,1H3,(H,28,29)