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

Systemtic Name: cyclohexylmethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C19H24F3N5O2 MolecularWeight: 411.42137

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

C1CCC(CC1)COC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C19H24F3N5O2/c20-19(21,22)18-24-23-15-6-7-16(25-27(15)18)26-10-8-14(9-11-26)17(28)29-12-13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2