methyl 1-[[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C21H22F3N3O4/c1-13-12-16(28)17(18(29)25-20(19(30)31-2)10-6-3-7-11-20)26-27(13)15-9-5-4-8-14(15)21(22,23)24/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,25,29)