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

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl ester Formula: C21H22F3N5O3 MolecularWeight: 449.42629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C21H22F3N5O3/c1-14-3-2-4-16(13-14)31-11-12-32-19(30)15-7-9-28(10-8-15)18-6-5-17-25-26-20(21(22,23)24)29(17)27-18/h2-6,13,15H,7-12H2,1H3