(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate Traditional Name: 2-[[4-(trifluoromethyl)benzoyl]amino]acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H17F3N4O3 MolecularWeight: 442.39059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H17F3N4O3/c1-14-18(11-26)19(29(28-14)17-5-3-2-4-6-17)13-32-20(30)12-27-21(31)15-7-9-16(10-8-15)22(23,24)25/h2-10H,12-13H2,1H3,(H,27,31)