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

Systemtic Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(4-mesylphenyl)-5-(4-methyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H20F3N5O2S MolecularWeight: 427.44391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N5O2S/c1-24-8-3-9-25(11-10-24)17-15(12-22)16(18(19,20)21)23-26(17)13-4-6-14(7-5-13)29(2,27)28/h4-7H,3,8-11H2,1-2H3