(E)-3-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[5-(1-benzimidazolylmethyl)-2,4-dimethylphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[5-(benzimidazol-1-ylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-acrylamide Formula: C20H18N4O MolecularWeight: 330.38312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)N)CN2C=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)CN2C=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H18N4O/c1-13-7-14(2)17(9-15(13)8-16(10-21)20(22)25)11-24-12-23-18-5-3-4-6-19(18)24/h3-9,12H,11H2,1-2H3,(H2,22,25)/b16-8+