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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C21H19BrClN3O4 MolecularWeight: 492.75026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O4/c1-29-19-10-13(9-16(22)20(19)27)8-14(12-24)21(28)25-17-11-15(23)2-3-18(17)26-4-6-30-7-5-26/h2-3,8-11,27H,4-7H2,1H3,(H,25,28)/b14-8+