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

Systemtic Name: 1-[3-(3-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C20H18BrF3N2O2 MolecularWeight: 455.26833

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrF3N2O2/c21-16-10-5-9-15(12-16)17-13-19(28,20(22,23)24)26(25-17)18(27)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12,28H,4,8,11,13H2