methyl (1Z)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]-3-methyl-benzenecarboximidate

Systemtic Name: methyl (1Z)-N-[5-cyano-3-(phenylmethyl)imidazol-4-yl]-3-methyl-benzenecarboximidate Openeye Name: methyl (1Z)-N-(3-benzyl-5-cyano-imidazol-4-yl)-3-methyl-benzenecarboximidate CAS Name: (1Z)-N-[5-cyano-3-(phenylmethyl)-4-imidazolyl]-3-methylbenzenecarboximidic acid methyl ester IUPAC Name: methyl (1Z)-N-(3-benzyl-5-cyanoimidazol-4-yl)-3-methylbenzenecarboximidate Traditional Name: (1Z)-N-(3-benzyl-5-cyano-imidazol-4-yl)-3-methyl-benzenecarboximidic acid methyl ester Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=NC2=C(N=CN2CC3=CC=CC=C3)C#N)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C(=N/C2=C(N=CN2CC3=CC=CC=C3)C#N)/OC

InChI

InChI=1S/C20H18N4O/c1-15-7-6-10-17(11-15)20(25-2)23-19-18(12-21)22-14-24(19)13-16-8-4-3-5-9-16/h3-11,14H,13H2,1-2H3/b23-20-