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

Systemtic Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]propan-1-one Openeye Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]propan-1-one CAS Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-1-propanone IUPAC Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]propan-1-one Traditional Name: 1-[1-amyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]propan-1-one Formula: C16H24N4O MolecularWeight: 288.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CC)C2=C(CNC=C2)C

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CC)C2=C(CNC=C2)C

InChI

InChI=1S/C16H24N4O/c1-4-6-7-10-20-16(13-8-9-17-11-12(13)3)18-15(19-20)14(21)5-2/h8-9,17H,4-7,10-11H2,1-3H3