N-[2,7-dimethyl-3,6-bis(oxidanylidene)octan-4-yl]-1,2,4-triazole-1-carboxamide

Systemtic Name: N-[2,7-dimethyl-3,6-bis(oxidanylidene)octan-4-yl]-1,2,4-triazole-1-carboxamide Openeye Name: N-[4-methyl-1-(2-methylpropanoyl)-3-oxo-pentyl]-1,2,4-triazole-1-carboxamide CAS Name: N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-1,2,4-triazole-1-carboxamide IUPAC Name: N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-1,2,4-triazole-1-carboxamide Traditional Name: N-(1-isobutyryl-3-keto-4-methyl-pentyl)-1,2,4-triazole-1-carboxamide Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C(=O)C(C)C)NC(=O)N1C=NC=N1

Isomeric SMILES

CC(C)C(=O)CC(C(=O)C(C)C)NC(=O)N1C=NC=N1

InChI

InChI=1S/C13H20N4O3/c1-8(2)11(18)5-10(12(19)9(3)4)16-13(20)17-7-14-6-15-17/h6-10H,5H2,1-4H3,(H,16,20)