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

Systemtic Name: [3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-pyridyl)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=NC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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