methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C17H20F3N5O4 MolecularWeight: 415.36701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NCCCCCC(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NCCCCCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H20F3N5O4/c1-28-13-8-7-12(23-24-13)25-15(17(18,19)20)11(10-22-25)16(27)21-9-5-3-4-6-14(26)29-2/h7-8,10H,3-6,9H2,1-2H3,(H,21,27)