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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-27-20-7-2-17(22)13-15(20)12-16(14-23)21(26)24-18-3-5-19(6-4-18)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26)/b16-12+