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

Systemtic Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]pentan-1-one Openeye Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]pentan-1-one CAS Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-1-pentanone IUPAC Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]pentan-1-one Traditional Name: 1-[1-butyl-5-(2-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]pentan-1-one Formula: C17H26N4O MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)C2=CC(NC=C2)C)CCCC

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)C2=CC(NC=C2)C)CCCC

InChI

InChI=1S/C17H26N4O/c1-4-6-8-15(22)16-19-17(21(20-16)11-7-5-2)14-9-10-18-13(3)12-14/h9-10,12-13,18H,4-8,11H2,1-3H3