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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]nonanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)nonanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]nonanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)nonanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)pelargonimidic acid methyl ester Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-3-4-5-6-7-11-14-20(26-2)24-21-19(15-22)23-17-25(21)16-18-12-9-8-10-13-18/h8-10,12-13,17H,3-7,11,14,16H2,1-2H3/b24-20+