(3-bromophenyl)-[5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

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