(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(3-morpholinophenyl)prop-2-en-1-one CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-[3-(4-morpholinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(3-morpholinophenyl)prop-2-en-1-one Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC(=C2)C(=O)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1COCCN1C2=CC=CC(=C2)C(=O)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H18BrNO4/c21-17-12-20-19(25-13-26-20)11-14(17)4-5-18(23)15-2-1-3-16(10-15)22-6-8-24-9-7-22/h1-5,10-12H,6-9,13H2/b5-4+