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

Systemtic Name: butyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C22H20F3N3O3 MolecularWeight: 431.40771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N3O3/c1-2-3-13-31-21(30)15-9-11-16(12-10-15)27-20(29)18-14-26-28(19(18)22(23,24)25)17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3,(H,27,29)