[3-(3-bromophenyl)-3-oxidanyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-phenyl-methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC(=CC=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC(=CC=C3)Br)O

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/h1-10,22,25H