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

Systemtic Name: ethyl 1-[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]nipecotic acid ethyl ester Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

InChI

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