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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]butanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)butanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]butanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)butanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)butyrimidic acid methyl ester Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O/c1-3-7-15(21-2)19-16-14(10-17)18-12-20(16)11-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,11H2,1-2H3/b19-15+