methyl 7-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]heptanoate Traditional Name: 7-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]enanthic acid methyl ester Formula: C18H22F3N5O4 MolecularWeight: 429.39359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3N5O4/c1-29-14-9-8-13(24-25-14)26-16(18(19,20)21)12(11-23-26)17(28)22-10-6-4-3-5-7-15(27)30-2/h8-9,11H,3-7,10H2,1-2H3,(H,22,28)