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

Systemtic Name: (1E)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]octanimidate Openeye Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)octanimidate CAS Name: (1E)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]octanimidate IUPAC Name: (1E)-N-(3-benzyl-5-cyanoimidazol-4-yl)octanimidate Traditional Name: (1E)-N-(3-benzyl-5-cyano-imidazol-4-yl)caprylimidate Formula: C19H23N4O- MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=NC1=C(N=CN1CC2=CC=CC=C2)C#N)[O-]

Isomeric SMILES

CCCCCCC/C(=N\C1=C(N=CN1CC2=CC=CC=C2)C#N)/[O-]

InChI

InChI=1S/C19H24N4O/c1-2-3-4-5-9-12-18(24)22-19-17(13-20)21-15-23(19)14-16-10-7-6-8-11-16/h6-8,10-11,15H,2-5,9,12,14H2,1H3,(H,22,24)/p-1