ethyl 1-[3-(2-phenylethanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-(2-phenylethanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(2-phenylacetyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[(1-oxo-2-phenylethyl)amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-phenylacetyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-[(2-phenylacetyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O3/c1-2-30-20(29)17-13-25-27(19(17)21(22,23)24)16-10-6-9-15(12-16)26-18(28)11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,26,28)