(4-bromophenyl)-[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (4-bromophenyl)-[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: (4-bromophenyl)-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone CAS Name: (4-bromophenyl)-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone IUPAC Name: (4-bromophenyl)-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Traditional Name: (4-bromophenyl)-[(5R)-3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]methanone Formula: C15H16BrF3N2O2 MolecularWeight: 393.19895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)C2=CC=C(C=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CCCCC1=C[C@](N(N1)C(=O)C2=CC=C(C=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C15H16BrF3N2O2/c1-2-3-4-12-9-14(23,15(17,18)19)21(20-12)13(22)10-5-7-11(16)8-6-10/h5-9,20,23H,2-4H2,1H3/t14-/m1/s1