5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]amino]-2H-isoquinolin-1-one

Systemtic Name: 5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]amino]-2H-isoquinolin-1-one Openeye Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-2H-isoquinolin-1-one CAS Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-2H-isoquinolin-1-one IUPAC Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-2H-isoquinolin-1-one Traditional Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]isocarbostyril Formula: C22H22F4N2O3 MolecularWeight: 438.415293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CNC1=CC=CC2=C1C=CNC2=O)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CC(C)(CC(CNC1=CC=CC2=C1C=CNC2=O)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C22H22F4N2O3/c1-20(2,16-10-13(23)6-7-18(16)29)11-21(31,22(24,25)26)12-28-17-5-3-4-15-14(17)8-9-27-19(15)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)