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4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-phenylquinoline

View entire compound with spectra: 2 NMR

4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-phenylquinoline
SpectraBase Compound ID 9Dd0fLM2leo
InChI InChI=1S/C28H25N3O3/c32-28(23-17-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24)31-14-12-30(13-15-31)18-20-10-11-26-27(16-20)34-19-33-26/h1-11,16-17H,12-15,18-19H2
InChIKey JHHIXGLXXYXLMO-UHFFFAOYSA-N
Mol Weight 451.53 g/mol
Molecular Formula C28H25N3O3
Exact Mass 451.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wILMuIGofp
Name 4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-phenylquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.189591674 u
Formula C28H25N3O3
InChI InChI=1S/C28H25N3O3/c32-28(23-17-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24)31-14-12-30(13-15-31)18-20-10-11-26-27(16-20)34-19-33-26/h1-11,16-17H,12-15,18-19H2
InChIKey JHHIXGLXXYXLMO-UHFFFAOYSA-N
Molecular Weight 451.526 g/mol
SMILES C1(C(N2CCN(CC2)CC2=CC=3OCOC3C=C2)=O)=CC(C=2C=CC=CC2)=NC=2C1=CC=CC2