(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)N3CCOCC3)Br)OC

InChI

InChI=1S/C22H22BrN3O4/c1-28-20-12-15(19(23)13-21(20)29-2)11-16(14-24)22(27)25-17-3-5-18(6-4-17)26-7-9-30-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,25,27)/b16-11+