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

Systemtic Name: (3-bromophenyl)-[(5S)-5-oxidanyl-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-(3-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C16H11BrF3N3O2 MolecularWeight: 414.17665

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrF3N3O2/c17-12-5-1-3-10(7-12)14(24)23-15(25,16(18,19)20)8-13(22-23)11-4-2-6-21-9-11/h1-7,9,25H,8H2/t15-/m0/s1