methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylate CAS Name: 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylate Traditional Name: 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylic acid methyl ester Formula: C21H22F3N5O2 MolecularWeight: 433.42689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(N=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22F3N5O2/c1-3-4-5-9-12-16-18(19(30)31-2)27-28-29(16)20-25-15(14-10-7-6-8-11-14)13-17(26-20)21(22,23)24/h6-8,10-11,13H,3-5,9,12H2,1-2H3