[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)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-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-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-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H26F3N5O3 MolecularWeight: 489.49015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3)C)C

InChI

InChI=1S/C24H26F3N5O3/c1-13-11-15(3)18(12-14(13)2)21(33)16(4)35-22(34)17-7-9-31(10-8-17)20-6-5-19-28-29-23(24(25,26)27)32(19)30-20/h5-6,11-12,16-17H,7-10H2,1-4H3