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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]methanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)methanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]methanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)methanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)formimidic acid methyl ester Formula: C13H12N4O MolecularWeight: 240.26058

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Descriptors Computed from Structure

Canonical SMILES:

COC=NC1=C(N=CN1CC2=CC=CC=C2)C#N

Isomeric SMILES

CO/C=N/C1=C(N=CN1CC2=CC=CC=C2)C#N

InChI

InChI=1S/C13H12N4O/c1-18-10-16-13-12(7-14)15-9-17(13)8-11-5-3-2-4-6-11/h2-6,9-10H,8H2,1H3/b16-10+