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

Systemtic Name: (3-chlorophenyl)methyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: (3-chlorophenyl)methyl 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 (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 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 (3-chlorobenzyl) ester Formula: C19H17ClF3N5O2 MolecularWeight: 439.81879

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C19H17ClF3N5O2/c20-14-3-1-2-12(10-14)11-30-17(29)13-6-8-27(9-7-13)16-5-4-15-24-25-18(19(21,22)23)28(15)26-16/h1-5,10,13H,6-9,11H2