ethyl 1-[4-[(3-cyanophenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-cyanophenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[[(3-cyanophenyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H15F3N4O3 MolecularWeight: 428.36401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O3/c1-2-31-20(30)17-12-26-28(18(17)21(22,23)24)16-8-6-15(7-9-16)27-19(29)14-5-3-4-13(10-14)11-25/h3-10,12H,2H2,1H3,(H,27,29)