methyl 4-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H18F3N3O3 MolecularWeight: 429.39183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4

InChI

InChI=1S/C22H18F3N3O3/c1-31-21(30)14-7-9-16(10-8-14)27-20(29)18-12-26-28(19(18)13-5-6-13)17-4-2-3-15(11-17)22(23,24)25/h2-4,7-13H,5-6H2,1H3,(H,27,29)