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2-(5-chloro-2-thienyl)-N-(4-methylbenzyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(5-chloro-2-thienyl)-N-(4-methylbenzyl)-4-quinolinecarboxamide
SpectraBase Compound ID FZoaLfzFh0O
InChI InChI=1S/C22H17ClN2OS/c1-14-6-8-15(9-7-14)13-24-22(26)17-12-19(20-10-11-21(23)27-20)25-18-5-3-2-4-16(17)18/h2-12H,13H2,1H3,(H,24,26)
InChIKey HMWNSJBHHAQCTN-UHFFFAOYSA-N
Mol Weight 392.9 g/mol
Molecular Formula C22H17ClN2OS
Exact Mass 392.075012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfKibIEitny
Name 2-(5-Chloro-2-thienyl)-N-(4-methylbenzyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 392.075012048 u
Formula C22H17ClN2OS
InChI InChI=1S/C22H17ClN2OS/c1-14-6-8-15(9-7-14)13-24-22(26)17-12-19(20-10-11-21(23)27-20)25-18-5-3-2-4-16(17)18/h2-12H,13H2,1H3,(H,24,26)
InChIKey HMWNSJBHHAQCTN-UHFFFAOYSA-N
Molecular Weight 392.904 g/mol
SMILES N(C(C=1C=C(C=2SC(Cl)=CC2)N=C2C1C=CC=C2)=O)CC1=CC=C(C=C1)C