ethyl 1-[4-[(2-phenylethanoylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(2-phenylethanoylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[oxo-[(1-oxo-2-phenylethyl)hydrazo]methyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H19F3N4O4 MolecularWeight: 460.40587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NNC(=O)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O4/c1-2-33-21(32)17-13-26-29(19(17)22(23,24)25)16-10-8-15(9-11-16)20(31)28-27-18(30)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,27,30)(H,28,31)