ethyl 3-(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 3-(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 3-[4-ethoxy-6-(1-piperidyl)-1,3,5-triazin-2-yl]-5-phenyl-triazole-4-carboxylate CAS Name: 3-[4-ethoxy-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-5-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-5-phenyltriazole-4-carboxylate Traditional Name: 3-(4-ethoxy-6-piperidino-s-triazin-2-yl)-5-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C21H25N7O3 MolecularWeight: 423.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)N2CCCCC2)N3C(=C(N=N3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=NC(=NC(=N1)N2CCCCC2)N3C(=C(N=N3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C21H25N7O3/c1-3-30-18(29)17-16(15-11-7-5-8-12-15)25-26-28(17)20-22-19(23-21(24-20)31-4-2)27-13-9-6-10-14-27/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3