(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(3-fluoranyl-4-morpholin-4-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(3-fluoranyl-4-morpholin-4-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-1-(3-fluoro-4-morpholino-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-[3-fluoro-4-(4-morpholinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-1-(3-fluoro-4-morpholino-phenyl)prop-2-en-1-one Formula: C21H21BrFNO4 MolecularWeight: 450.298143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)N3CCOCC3)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC(=C(C=C2)N3CCOCC3)F)Br)OC

InChI

InChI=1S/C21H21BrFNO4/c1-26-20-12-14(16(22)13-21(20)27-2)4-6-19(25)15-3-5-18(17(23)11-15)24-7-9-28-10-8-24/h3-6,11-13H,7-10H2,1-2H3/b6-4+