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

Systemtic Name: ethyl 4-[[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H23F3N4O4 MolecularWeight: 452.42693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N4O4/c1-3-32-20(31)27-10-8-14(9-11-27)25-19(30)18-17(29)12-13(2)28(26-18)16-7-5-4-6-15(16)21(22,23)24/h4-7,12,14H,3,8-11H2,1-2H3,(H,25,30)