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2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)-4-quinolinecarboxamide

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2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)-4-quinolinecarboxamide
SpectraBase Compound ID ERB1Sxsjlzp
InChI InChI=1S/C23H14BrFN2O3/c24-14-6-7-19(17(25)10-14)27-23(28)16-11-20(26-18-4-2-1-3-15(16)18)13-5-8-21-22(9-13)30-12-29-21/h1-11H,12H2,(H,27,28)
InChIKey SISZDEJDBJIQCP-UHFFFAOYSA-N
Mol Weight 465.28 g/mol
Molecular Formula C23H14BrFN2O3
Exact Mass 464.017183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jv0TL36Jtj9
Name 2-(1,3-Benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 464.017183479 u
Formula C23H14BrFN2O3
InChI InChI=1S/C23H14BrFN2O3/c24-14-6-7-19(17(25)10-14)27-23(28)16-11-20(26-18-4-2-1-3-15(16)18)13-5-8-21-22(9-13)30-12-29-21/h1-11H,12H2,(H,27,28)
InChIKey SISZDEJDBJIQCP-UHFFFAOYSA-N
Molecular Weight 465.278 g/mol
SMILES N(C(C1=CC(C=2C=C3OCOC3=CC2)=NC2=C1C=CC=C2)=O)C1=C(C=C(C=C1)Br)F