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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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