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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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