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

Systemtic Name: (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-acrylamide Formula: C19H25N3O MolecularWeight: 311.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)N)CN2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)CN2CCCCCC2)C

InChI

InChI=1S/C19H25N3O/c1-14-9-15(2)18(13-22-7-5-3-4-6-8-22)11-16(14)10-17(12-20)19(21)23/h9-11H,3-8,13H2,1-2H3,(H2,21,23)/b17-10+