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

Systemtic Name: butyl 4-[[1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C20H18F3N5O4 MolecularWeight: 449.38323

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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=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N5O4/c1-2-3-10-32-19(31)12-4-6-13(7-5-12)25-18(30)14-11-24-28(17(14)20(21,22)23)15-8-9-16(29)27-26-15/h4-9,11H,2-3,10H2,1H3,(H,25,30)(H,27,29)