4-(4-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide

Systemtic Name: 4-(4-bromanyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide Openeye Name: 4-(4-bromo-2-methoxy-phenyl)-2-hydroxy-4-methyl-N-(5-quinolyl)-2-(trifluoromethyl)pentanamide CAS Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(5-quinolinyl)-2-(trifluoromethyl)pentanamide IUPAC Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide Traditional Name: 4-(4-bromo-2-methoxy-phenyl)-2-hydroxy-4-methyl-N-(5-quinolyl)-2-(trifluoromethyl)valeramide Formula: C23H22BrF3N2O3 MolecularWeight: 511.33159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1=CC=CC2=C1C=CC=N2)(C(F)(F)F)O)C3=C(C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(CC(C(=O)NC1=CC=CC2=C1C=CC=N2)(C(F)(F)F)O)C3=C(C=C(C=C3)Br)OC

InChI

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