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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]hexanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)hexanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]hexanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)hexanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)hexanimidic acid methyl ester Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-3-4-6-11-17(23-2)21-18-16(12-19)20-14-22(18)13-15-9-7-5-8-10-15/h5,7-10,14H,3-4,6,11,13H2,1-2H3/b21-17+