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2-(4-chlorophenyl)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
SpectraBase Compound ID IMfHfmixbGp
InChI InChI=1S/C23H24ClN3O2/c24-18-8-6-17(7-9-18)22-16-20(19-4-1-2-5-21(19)26-22)23(28)25-10-3-11-27-12-14-29-15-13-27/h1-2,4-9,16H,3,10-15H2,(H,25,28)
InChIKey DZFBXLKSCRWWQK-UHFFFAOYSA-N
Mol Weight 409.92 g/mol
Molecular Formula C23H24ClN3O2
Exact Mass 409.155705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YGyveFlySw
Name 2-(4-Chlorophenyl)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 409.155704723 u
Formula C23H24ClN3O2
InChI InChI=1S/C23H24ClN3O2/c24-18-8-6-17(7-9-18)22-16-20(19-4-1-2-5-21(19)26-22)23(28)25-10-3-11-27-12-14-29-15-13-27/h1-2,4-9,16H,3,10-15H2,(H,25,28)
InChIKey DZFBXLKSCRWWQK-UHFFFAOYSA-N
Molecular Weight 409.917 g/mol
SMILES N(C(C=1C=C(C=2C=CC(Cl)=CC2)N=C2C1C=CC=C2)=O)CCCN1CCOCC1