3-[(5S)-3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H16F3N3O2 MolecularWeight: 303.28025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC#N

Isomeric SMILES

C1CCC(CC1)C2=NN([C@](C2)(C(F)(F)F)O)C(=O)CC#N

InChI

InChI=1S/C13H16F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h9,21H,1-6,8H2/t12-/m0/s1