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

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C20H17BrFN3O2 MolecularWeight: 430.270283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=C(C=CC(=C3)Br)F)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=C(C=CC(=C3)Br)F)/C#N

InChI

InChI=1S/C20H17BrFN3O2/c21-16-1-6-19(22)14(12-16)11-15(13-23)20(26)24-17-2-4-18(5-3-17)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H,24,26)/b15-11+