1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone CAS Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Traditional Name: 1-[5-(cyclohexylmethylamino)-1-(6-mesyl-3-pyridyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Formula: C19H23F3N4O3S MolecularWeight: 444.47113

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=C1C(F)(F)F)C2=CN=C(C=C2)S(=O)(=O)C)NCC3CCCCC3

Isomeric SMILES

CC(=O)C1=C(N(N=C1C(F)(F)F)C2=CN=C(C=C2)S(=O)(=O)C)NCC3CCCCC3

InChI

InChI=1S/C19H23F3N4O3S/c1-12(27)16-17(19(20,21)22)25-26(14-8-9-15(23-11-14)30(2,28)29)18(16)24-10-13-6-4-3-5-7-13/h8-9,11,13,24H,3-7,10H2,1-2H3