5-[[4-(5-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one

Systemtic Name: 5-[[4-(5-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Openeye Name: 5-[[4-(5-bromo-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one CAS Name: 5-[[4-(5-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one IUPAC Name: 5-[[4-(5-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Traditional Name: 5-[[4-(5-bromo-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino]isocarbostyril Formula: C23H22BrF3N2O3 MolecularWeight: 511.33159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrF3N2O3/c1-21(2,17-11-14(24)7-8-19(17)32-3)12-22(31,23(25,26)27)13-29-18-6-4-5-16-15(18)9-10-28-20(16)30/h4-11,13,31H,12H2,1-3H3,(H,28,30)