1-[4-(3-fluorophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one

Systemtic Name: 1-[4-(3-fluorophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one Openeye Name: 1-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one CAS Name: 1-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolinone IUPAC Name: 1-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one Traditional Name: 1-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolone Formula: C22H21F4NO2 MolecularWeight: 407.401253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H21F4NO2/c1-20(2,15-6-5-7-16(23)12-15)13-21(29,22(24,25)26)14-27-11-10-19(28)17-8-3-4-9-18(17)27/h3-12,29H,13-14H2,1-2H3