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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide

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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID D61bI7IDyP6
InChI InChI=1S/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKey XYXKUSWECOFVEP-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C25H20N2O3
Exact Mass 396.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nO0gJ80yNG
Name N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 396.147392509 u
Formula C25H20N2O3
InChI InChI=1S/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKey XYXKUSWECOFVEP-UHFFFAOYSA-N
Molecular Weight 396.446 g/mol
SMILES N(C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O)C=1C=C2OCCOC2=CC1