1-[1-(2-methyl-1,2-dihydropyridin-4-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone

Systemtic Name: 1-[1-(2-methyl-1,2-dihydropyridin-4-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[1-(2-methyl-1,2-dihydropyridin-4-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone CAS Name: 1-[1-(2-methyl-1,2-dihydropyridin-4-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-phenylethanone IUPAC Name: 1-[1-(2-methyl-1,2-dihydropyridin-4-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-phenylethanone Traditional Name: 1-[5-amyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone Formula: C21H26N4O MolecularWeight: 350.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NN1C2=CC(NC=C2)C)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=NC(=NN1C2=CC(NC=C2)C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O/c1-3-4-6-11-20-23-21(19(26)15-17-9-7-5-8-10-17)24-25(20)18-12-13-22-16(2)14-18/h5,7-10,12-14,16,22H,3-4,6,11,15H2,1-2H3