[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O4/c1-13-6-3-4-9-26(13)18(29)12-31-20(30)19-17(28)10-14(2)27(25-19)16-8-5-7-15(11-16)21(22,23)24/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3