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

Systemtic Name: 3-[(4-acetamidophenyl)methyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Openeye Name: 3-[(4-acetamidophenyl)methyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide CAS Name: 3-[(4-acetamidophenyl)methyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-[(4-acetamidophenyl)methyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Traditional Name: 5-(4-acetamidobenzyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-2-pyrazoline-3-carboxamide Formula: C22H20F3N5O2 MolecularWeight: 443.42171

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O2/c1-13(31)27-16-6-3-14(4-7-16)9-18-11-21(2,30-29-18)20(32)28-17-8-5-15(12-26)19(10-17)22(23,24)25/h3-8,10,30H,9,11H2,1-2H3,(H,27,31)(H,28,32)