butyl 4-[[5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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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=NC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N4O3/c1-3-4-11-32-21(31)15-5-8-17(9-6-15)28-20(30)18-13-27-29(14(18)2)19-10-7-16(12-26-19)22(23,24)25/h5-10,12-13H,3-4,11H2,1-2H3,(H,28,30)