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2-(4-isobutylphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
SpectraBase Compound ID 3oYkEgvfqWr
InChI InChI=1S/C26H31N3O2/c1-19(2)17-20-7-9-21(10-8-20)25-18-23(22-5-3-4-6-24(22)28-25)26(30)27-11-12-29-13-15-31-16-14-29/h3-10,18-19H,11-17H2,1-2H3,(H,27,30)
InChIKey NOVWCNPYPYVSIR-UHFFFAOYSA-N
Mol Weight 417.55 g/mol
Molecular Formula C26H31N3O2
Exact Mass 417.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DIG3K583Gj
Name 2-(4-Isobutylphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 417.241627248 u
Formula C26H31N3O2
InChI InChI=1S/C26H31N3O2/c1-19(2)17-20-7-9-21(10-8-20)25-18-23(22-5-3-4-6-24(22)28-25)26(30)27-11-12-29-13-15-31-16-14-29/h3-10,18-19H,11-17H2,1-2H3,(H,27,30)
InChIKey NOVWCNPYPYVSIR-UHFFFAOYSA-N
Molecular Weight 417.553 g/mol
SMILES N(C(C=1C=C(C2=CC=C(C=C2)CC(C)C)N=C2C1C=CC=C2)=O)CCN1CCOCC1