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

Systemtic Name: methyl (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]pentanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)pentanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]pentanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)pentanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)valerimidic acid methyl ester Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O/c1-3-4-10-16(22-2)20-17-15(11-18)19-13-21(17)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10,12H2,1-2H3/b20-16+