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

Systemtic Name: 1-[4-(4-fluorophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinazolin-4-one Openeye Name: 1-[4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinazolin-4-one CAS Name: 1-[4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-quinazolinone IUPAC Name: 1-[4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinazolin-4-one Traditional Name: 1-[4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinazolin-4-one Formula: C21H20F4N2O2 MolecularWeight: 408.389313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F4N2O2/c1-19(2,14-7-9-15(22)10-8-14)11-20(29,21(23,24)25)12-27-13-26-18(28)16-5-3-4-6-17(16)27/h3-10,13,29H,11-12H2,1-2H3