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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]propanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)propanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]propanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)propanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)propionimidic acid methyl ester Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O/c1-3-14(20-2)18-15-13(9-16)17-11-19(15)10-12-7-5-4-6-8-12/h4-8,11H,3,10H2,1-2H3/b18-14+