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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]octanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)octanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]octanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)octanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)caprylimidic acid methyl ester Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-3-4-5-6-10-13-19(25-2)23-20-18(14-21)22-16-24(20)15-17-11-8-7-9-12-17/h7-9,11-12,16H,3-6,10,13,15H2,1-2H3/b23-19+