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N-{4-[acetyl(methyl)amino]phenyl}-2-phenyl-4-quinolinecarboxamide
SpectraBase Compound ID L7BMcloQsCA
InChI InChI=1S/C25H21N3O2/c1-17(29)28(2)20-14-12-19(13-15-20)26-25(30)22-16-24(18-8-4-3-5-9-18)27-23-11-7-6-10-21(22)23/h3-16H,1-2H3,(H,26,30)
InChIKey VRVFLJHJKZSJNV-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C25H21N3O2
Exact Mass 395.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkjEXEWMCyK
Name N-{4-[Acetyl(methyl)amino]phenyl}-2-phenyl-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 395.163376926 u
Formula C25H21N3O2
InChI InChI=1S/C25H21N3O2/c1-17(29)28(2)20-14-12-19(13-15-20)26-25(30)22-16-24(18-8-4-3-5-9-18)27-23-11-7-6-10-21(22)23/h3-16H,1-2H3,(H,26,30)
InChIKey VRVFLJHJKZSJNV-UHFFFAOYSA-N
Molecular Weight 395.462 g/mol
SMILES N(C(C=1C=C(N=C2C1C=CC=C2)C1=CC=CC=C1)=O)C1=CC=C(N(C(=O)C)C)C=C1