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

Systemtic Name: 1-[(5S)-5-(4-bromophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(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(C2=CC=C(C=C2)Br)O)C(=O)CCCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(=NN([C@]1(C2=CC=C(C=C2)Br)O)C(=O)CCCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H18BrF3N2O2/c21-16-11-9-15(10-12-16)19(28)13-17(20(22,23)24)25-26(19)18(27)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,28H,4,7-8,13H2/t19-/m0/s1