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N-Cyclohexyl-3-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzamide

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N-Cyclohexyl-3-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzamide
SpectraBase Compound ID DHqoeMVE5yV
InChI InChI=1S/C25H22N2O3/c28-23(26-18-10-2-1-3-11-18)17-9-4-12-19(15-17)27-24(29)20-13-5-7-16-8-6-14-21(22(16)20)25(27)30/h4-9,12-15,18H,1-3,10-11H2,(H,26,28)
InChIKey SKLYBDDEEVEFIQ-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C25H22N2O3
Exact Mass 398.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dIfkAUAcPx
Name N-Cyclohexyl-3-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 398.163042573 u
Formula C25H22N2O3
InChI InChI=1S/C25H22N2O3/c28-23(26-18-10-2-1-3-11-18)17-9-4-12-19(15-17)27-24(29)20-13-5-7-16-8-6-14-21(22(16)20)25(27)30/h4-9,12-15,18H,1-3,10-11H2,(H,26,28)
InChIKey SKLYBDDEEVEFIQ-UHFFFAOYSA-N
Molecular Weight 398.462 g/mol
SMILES C12=C3C(=CC=CC3=CC=C1)C(N(C2=O)C1=CC(=CC=C1)C(NC1CCCCC1)=O)=O