2-(4-methoxyphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidinecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]isonipecotic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C21H22F3N5O4 MolecularWeight: 465.42569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C21H22F3N5O4/c1-31-15-2-4-16(5-3-15)32-12-13-33-19(30)14-8-10-28(11-9-14)18-7-6-17-25-26-20(21(22,23)24)29(17)27-18/h2-7,14H,8-13H2,1H3