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

Systemtic Name: (4-bromophenyl)-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-bromophenyl)-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-bromophenyl)-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-bromophenyl)-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C17H20BrF3N2O2 MolecularWeight: 421.25211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrF3N2O2/c1-2-3-4-5-6-14-11-16(25,17(19,20)21)23(22-14)15(24)12-7-9-13(18)10-8-12/h7-10,25H,2-6,11H2,1H3/t16-/m0/s1