3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)isoquinolin-1-one

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)isoquinolin-1-one Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(o-tolyl)isoquinolin-1-one CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)-1-isoquinolinone IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)isoquinolin-1-one Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]-2-methyl-4-(o-tolyl)isocarbostyril Formula: C26H19F6NO MolecularWeight: 475.425579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H19F6NO/c1-15-7-3-4-8-19(15)23-20-9-5-6-10-21(20)24(34)33(2)22(23)13-16-11-17(25(27,28)29)14-18(12-16)26(30,31)32/h3-12,14H,13H2,1-2H3