(3-bromophenyl)-[4-oxidanyl-5-phenyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-oxidanyl-5-phenyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]methanone Openeye Name: (3-bromophenyl)-[4-hydroxy-5-phenyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]methanone CAS Name: (3-bromophenyl)-[4-hydroxy-5-phenyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]methanone IUPAC Name: (3-bromophenyl)-[4-hydroxy-5-phenyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]methanone Traditional Name: (3-bromophenyl)-[4-hydroxy-3-phenyl-4-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C17H12BrF3N2O2 MolecularWeight: 413.18859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

C1C(C(=NN1C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C17H12BrF3N2O2/c18-13-8-4-7-12(9-13)15(24)23-10-16(25,17(19,20)21)14(22-23)11-5-2-1-3-6-11/h1-9,25H,10H2