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2-(2,4-dichlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
SpectraBase Compound ID HeB6TZbwxfJ
InChI InChI=1S/C22H21Cl2N3O2/c23-15-5-6-17(19(24)13-15)21-14-18(16-3-1-2-4-20(16)26-21)22(28)25-7-8-27-9-11-29-12-10-27/h1-6,13-14H,7-12H2,(H,25,28)
InChIKey HEEQDXQPMRCTLD-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C22H21Cl2N3O2
Exact Mass 429.101082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JgPanxl2tk
Name 2-(2,4-Dichlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 429.101082326 u
Formula C22H21Cl2N3O2
InChI InChI=1S/C22H21Cl2N3O2/c23-15-5-6-17(19(24)13-15)21-14-18(16-3-1-2-4-20(16)26-21)22(28)25-7-8-27-9-11-29-12-10-27/h1-6,13-14H,7-12H2,(H,25,28)
InChIKey HEEQDXQPMRCTLD-UHFFFAOYSA-N
Molecular Weight 430.335 g/mol
SMILES N(CCN1CCOCC1)C(C1=CC(=NC2=CC=CC=C12)C1=C(C=C(C=C1)Cl)Cl)=O