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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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