1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethylazepan-1-yl)pyrazole-4-carbonitrile

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethylazepan-1-yl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)-5-(3,3,5-trimethylazepan-1-yl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-5-(3,3,5-trimethyl-1-azepanyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)-5-(3,3,5-trimethylazepan-1-yl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)-5-(3,3,5-trimethylazepan-1-yl)pyrazole-4-carbonitrile Formula: C20H24F3N5O2S MolecularWeight: 455.49707

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C20H24F3N5O2S/c1-13-7-8-27(12-19(2,3)9-13)18-15(10-24)17(20(21,22)23)26-28(18)16-6-5-14(11-25-16)31(4,29)30/h5-6,11,13H,7-9,12H2,1-4H3