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

Systemtic Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]butan-1-one Openeye Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]butan-1-one CAS Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]butan-1-one Formula: C16H24N4O MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CC(NC=C2)C

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CCC)C2=CC(NC=C2)C

InChI

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