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

Systemtic Name: methyl 4-[[1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C14H14F3N5O4 MolecularWeight: 373.28727

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(N(N=C1)C2=NNC(=O)C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(N(N=C1)C2=NNC(=O)C=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3N5O4/c1-26-11(24)3-2-6-18-13(25)8-7-19-22(12(8)14(15,16)17)9-4-5-10(23)21-20-9/h4-5,7H,2-3,6H2,1H3,(H,18,25)(H,21,23)