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

Systemtic Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]pentan-1-one Openeye Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]pentan-1-one CAS Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-1-pentanone IUPAC Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]pentan-1-one Traditional Name: 1-[1-amyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]pentan-1-one Formula: C18H28N4O MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-4-6-8-12-22-18(15-10-11-19-13-14(15)3)20-17(21-22)16(23)9-7-5-2/h10-11,19H,4-9,12-13H2,1-3H3