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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)C2=C(CNC=C2)C)CCC

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)C2=C(CNC=C2)C)CCC

InChI

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