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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]heptanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)heptanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]heptanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)heptanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)enanthimidic acid methyl ester Formula: C19H24N4O MolecularWeight: 324.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=C(N=CN1CC2=CC=CC=C2)C#N)OC

Isomeric SMILES

CCCCCC/C(=N\C1=C(N=CN1CC2=CC=CC=C2)C#N)/OC

InChI

InChI=1S/C19H24N4O/c1-3-4-5-9-12-18(24-2)22-19-17(13-20)21-15-23(19)14-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12,14H2,1-2H3/b22-18+