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

Systemtic Name: [(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylfuran-3-yl)methanone Openeye Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methyl-3-furyl)methanone CAS Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methyl-3-furanyl)methanone IUPAC Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylfuran-3-yl)methanone Traditional Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methyl-3-furyl)methanone Formula: C14H17F3N2O3 MolecularWeight: 318.29159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=COC=C2C

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=COC=C2C

InChI

InChI=1S/C14H17F3N2O3/c1-3-4-5-10-6-13(21,14(15,16)17)19(18-10)12(20)11-8-22-7-9(11)2/h7-8,21H,3-6H2,1-2H3/t13-/m0/s1