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(2E)-2-cyano-N-cyclohexyl-3-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)-2-propenamide

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(2E)-2-cyano-N-cyclohexyl-3-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)-2-propenamide
SpectraBase Compound ID 2aT9yJDHY2g
InChI InChI=1S/C25H27N3O3/c26-15-19(24(29)27-20-7-2-1-3-8-20)14-18-13-17-12-16-6-4-10-28-11-5-9-21(22(16)28)23(17)31-25(18)30/h12-14,20H,1-11H2,(H,27,29)/b19-14+
InChIKey RWBPMIMIOWDDQU-XMHGGMMESA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zls0iSWNbo
Name (2E)-2-Cyano-N-cyclohexyl-3-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-F]pyrido[3,2,1-ij]quinolin-10-yl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.205241738 u
Formula C25H27N3O3
InChI InChI=1S/C25H27N3O3/c26-15-19(24(29)27-20-7-2-1-3-8-20)14-18-13-17-12-16-6-4-10-28-11-5-9-21(22(16)28)23(17)31-25(18)30/h12-14,20H,1-11H2,(H,27,29)/b19-14+
InChIKey RWBPMIMIOWDDQU-XMHGGMMESA-N
Molecular Weight 417.509 g/mol
SMILES N(C(\C(=C\C1=CC2=C(C3=C4N(CCCC4=C2)CCC3)OC1=O)C#N)=O)C1CCCCC1