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

Systemtic Name: 5-(4-ethanoyl-1,4-diazepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H19F3N6O3S MolecularWeight: 456.44207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H19F3N6O3S/c1-12(28)25-6-3-7-26(9-8-25)17-14(10-22)16(18(19,20)21)24-27(17)15-5-4-13(11-23-15)31(2,29)30/h4-5,11H,3,6-9H2,1-2H3