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

Systemtic Name: ethyl 1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: 1-[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]nipecotic acid ethyl ester Formula: C19H20F3N3O3 MolecularWeight: 395.37561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3/c1-2-28-18(27)13-4-3-9-25(11-13)16-7-5-12(10-14(16)19(20,21)22)15-6-8-17(26)24-23-15/h5-8,10,13H,2-4,9,11H2,1H3,(H,24,26)