[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-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-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 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-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H27F3N6O3 MolecularWeight: 456.46199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C(F)(F)F)C=C2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C(F)(F)F)C=C2

InChI

InChI=1S/C20H27F3N6O3/c1-12(2)28(13(3)4)17(30)11-32-18(31)14-7-9-27(10-8-14)16-6-5-15-24-25-19(20(21,22)23)29(15)26-16/h5-6,12-14H,7-11H2,1-4H3