3-(3-bromanyl-4-fluoranyl-phenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one

Systemtic Name: 3-(3-bromanyl-4-fluoranyl-phenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one Openeye Name: 3-(3-bromo-4-fluoro-phenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one CAS Name: 3-(3-bromo-4-fluorophenyl)-1-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-2-propen-1-one IUPAC Name: 3-(3-bromo-4-fluorophenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one Traditional Name: 3-(3-bromo-4-fluoro-phenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholino]prop-2-en-1-one Formula: C22H19BrFNO3 MolecularWeight: 444.293563

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C=CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C22H19BrFNO3/c1-2-16-4-3-5-18(12-16)28-15-19-14-25(10-11-27-19)22(26)9-7-17-6-8-21(24)20(23)13-17/h1,3-9,12-13,19H,10-11,14-15H2