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

Systemtic Name: methyl 3-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H18F3N5O4 MolecularWeight: 449.38323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O4/c1-31-16-9-8-15(26-27-16)28-18(20(21,22)23)13(11-24-28)19(30)25-14(10-17(29)32-2)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,25,30)