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

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: 2-(4-fluorophenoxy)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-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)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-fluorophenoxy)ethyl ester Formula: C20H19F4N5O3 MolecularWeight: 453.390173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)F)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)F)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C20H19F4N5O3/c21-14-1-3-15(4-2-14)31-11-12-32-18(30)13-7-9-28(10-8-13)17-6-5-16-25-26-19(20(22,23)24)29(16)27-17/h1-6,13H,7-12H2