5-[[4-(3-methoxyphenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one

Systemtic Name: 5-[[4-(3-methoxyphenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Openeye Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one CAS Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one IUPAC Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Traditional Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]isocarbostyril Formula: C23H23F3N2O3 MolecularWeight: 432.43553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C=NC1=CC=CC2=C1C=CNC2=O)(C(F)(F)F)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(CC(C=NC1=CC=CC2=C1C=CNC2=O)(C(F)(F)F)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H23F3N2O3/c1-21(2,15-6-4-7-16(12-15)31-3)13-22(30,23(24,25)26)14-28-19-9-5-8-18-17(19)10-11-27-20(18)29/h4-12,14,30H,13H2,1-3H3,(H,27,29)