methyl (1E)-N-(5-cyano-3-methyl-imidazol-4-yl)heptanimidate

Systemtic Name: methyl (1E)-N-(5-cyano-3-methyl-imidazol-4-yl)heptanimidate Openeye Name: methyl (1E)-N-(5-cyano-3-methyl-imidazol-4-yl)heptanimidate CAS Name: (1E)-N-(5-cyano-3-methyl-4-imidazolyl)heptanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(5-cyano-3-methylimidazol-4-yl)heptanimidate Traditional Name: (1E)-N-(5-cyano-3-methyl-imidazol-4-yl)enanthimidic acid methyl ester Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=C(N=CN1C)C#N)OC

Isomeric SMILES

CCCCCC/C(=N\C1=C(N=CN1C)C#N)/OC

InChI

InChI=1S/C13H20N4O/c1-4-5-6-7-8-12(18-3)16-13-11(9-14)15-10-17(13)2/h10H,4-8H2,1-3H3/b16-12+