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

Systemtic Name: 5-(4-ethanoyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-acetyl-1,4-diazepan-1-yl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C19H20F3N5O3S MolecularWeight: 455.45401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N5O3S/c1-13(28)25-8-3-9-26(11-10-25)18-16(12-23)17(19(20,21)22)24-27(18)14-4-6-15(7-5-14)31(2,29)30/h4-7H,3,8-11H2,1-2H3