1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one

Systemtic Name: 1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one Openeye Name: 1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one CAS Name: 1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-1-propanone IUPAC Name: 1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one Traditional Name: 1-[5-butyl-1-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one Formula: C15H22N4O MolecularWeight: 274.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=CC(NC=C2)C)C(=O)CC

Isomeric SMILES

CCCCC1=NC(=NN1C2=CC(NC=C2)C)C(=O)CC

InChI

InChI=1S/C15H22N4O/c1-4-6-7-14-17-15(13(20)5-2)18-19(14)12-8-9-16-11(3)10-12/h8-11,16H,4-7H2,1-3H3