butyl 4-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C21H20F3N5O4 MolecularWeight: 463.40981

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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=NN=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N5O4/c1-3-4-11-33-20(31)13-5-7-14(8-6-13)26-19(30)15-12-25-29(18(15)21(22,23)24)16-9-10-17(32-2)28-27-16/h5-10,12H,3-4,11H2,1-2H3,(H,26,30)