1-[3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C14H14BrF3N2O2 MolecularWeight: 379.17237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C14H14BrF3N2O2/c1-8(2)12(21)20-13(22,14(16,17)18)7-11(19-20)9-3-5-10(15)6-4-9/h3-6,8,22H,7H2,1-2H3