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

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-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 [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 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-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H24F3N5O3 MolecularWeight: 475.46357

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C23H24F3N5O3/c1-3-15-4-6-16(7-5-15)20(32)14(2)34-21(33)17-10-12-30(13-11-17)19-9-8-18-27-28-22(23(24,25)26)31(18)29-19/h4-9,14,17H,3,10-13H2,1-2H3