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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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