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3-pyridinecarboxamide, 2-chloro-N-[2-[[[3-(4-morpholinyl)propyl]amino]carbonyl]phenyl]-
SpectraBase Compound ID FEEcnE94ZjE
InChI InChI=1S/C20H23ClN4O3/c21-18-16(6-3-8-22-18)20(27)24-17-7-2-1-5-15(17)19(26)23-9-4-10-25-11-13-28-14-12-25/h1-3,5-8H,4,9-14H2,(H,23,26)(H,24,27)
InChIKey KUIAOMJYEHPIBN-UHFFFAOYSA-N
Mol Weight 402.88 g/mol
Molecular Formula C20H23ClN4O3
Exact Mass 402.145868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Nyj8v13MGj
Name 3-Pyridinecarboxamide, 2-chloro-N-[2-[[[3-(4-morpholinyl)propyl]amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 402.145868314 u
Formula C20H23ClN4O3
InChI InChI=1S/C20H23ClN4O3/c21-18-16(6-3-8-22-18)20(27)24-17-7-2-1-5-15(17)19(26)23-9-4-10-25-11-13-28-14-12-25/h1-3,5-8H,4,9-14H2,(H,23,26)(H,24,27)
InChIKey KUIAOMJYEHPIBN-UHFFFAOYSA-N
Molecular Weight 402.882 g/mol
SMILES N(C(C=1C(=NC=CC1)Cl)=O)C=1C(C(=O)NCCCN2CCOCC2)=CC=CC1