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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4/c1-28-19-12-14(11-18(22)20(19)26)10-15(13-23)21(27)24-16-2-4-17(5-3-16)25-6-8-29-9-7-25/h2-5,10-12,26H,6-9H2,1H3,(H,24,27)/b15-10+