3-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide

Systemtic Name: 3-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Openeye Name: 3-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide CAS Name: 3-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Traditional Name: 5-(3-acetamidophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-2-pyrazoline-3-carboxamide Formula: C21H18F3N5O2 MolecularWeight: 429.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H18F3N5O2/c1-12(30)26-15-5-3-4-13(8-15)18-10-20(2,29-28-18)19(31)27-16-7-6-14(11-25)17(9-16)21(22,23)24/h3-9,29H,10H2,1-2H3,(H,26,30)(H,27,31)