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

Systemtic Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone CAS Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridazinyl)-3-(trifluoromethyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Traditional Name: 1-[5-(cyclohexylmethylamino)-1-(6-mesylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Formula: C18H22F3N5O3S MolecularWeight: 445.45919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3N5O3S/c1-11(27)15-16(18(19,20)21)25-26(13-8-9-14(24-23-13)30(2,28)29)17(15)22-10-12-6-4-3-5-7-12/h8-9,12,22H,3-7,10H2,1-2H3