ethyl 1-heptyl-5-[4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-heptyl-5-[4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-heptyl-5-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 1-heptyl-5-[4-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-heptyl-5-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 1-heptyl-5-[4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid ethyl ester Formula: C19H24F3N3O2 MolecularWeight: 383.40797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(N=N1)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCN1C(=C(N=N1)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H24F3N3O2/c1-3-5-6-7-8-13-25-17(16(23-24-25)18(26)27-4-2)14-9-11-15(12-10-14)19(20,21)22/h9-12H,3-8,13H2,1-2H3