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

Systemtic Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(4-methyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H19F3N6O2S MolecularWeight: 428.43197

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CN1CCCN(CC1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C17H19F3N6O2S/c1-24-6-3-7-25(9-8-24)16-13(10-21)15(17(18,19)20)23-26(16)14-5-4-12(11-22-14)29(2,27)28/h4-5,11H,3,6-9H2,1-2H3