ethyl 5-phenyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-phenyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-phenyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxylate CAS Name: 5-phenyl-1-[8-(trifluoromethyl)-4-quinolinyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxylate Traditional Name: 5-phenyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxylic acid ethyl ester Formula: C21H15F3N4O2 MolecularWeight: 412.36461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H15F3N4O2/c1-2-30-20(29)18-19(13-7-4-3-5-8-13)28(27-26-18)16-11-12-25-17-14(16)9-6-10-15(17)21(22,23)24/h3-12H,2H2,1H3