propyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid propyl ester Formula: C21H18F3N3O3 MolecularWeight: 417.38113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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