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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H18BrN3O4/c22-15-11-19-18(28-12-29-19)10-13(15)9-14(21(26)25-5-7-27-8-6-25)20-23-16-3-1-2-4-17(16)24-20/h1-4,9-11H,5-8,12H2,(H,23,24)/b14-9+