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3-[4-(2-Chlorobenzyl)-1-piperazinyl]-1-(4-methoxyphenyl)-2,5-pyrrolidinedione

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3-[4-(2-Chlorobenzyl)-1-piperazinyl]-1-(4-methoxyphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID GvnuFJoLJfS
InChI InChI=1S/C22H24ClN3O3/c1-29-18-8-6-17(7-9-18)26-21(27)14-20(22(26)28)25-12-10-24(11-13-25)15-16-4-2-3-5-19(16)23/h2-9,20H,10-15H2,1H3
InChIKey JQENMSXIAJLCTB-UHFFFAOYSA-N
Mol Weight 413.91 g/mol
Molecular Formula C22H24ClN3O3
Exact Mass 413.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eOcbWLUpPz
Name 3-[4-(2-Chlorobenzyl)-1-piperazinyl]-1-(4-methoxyphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.150619342 u
Formula C22H24ClN3O3
InChI InChI=1S/C22H24ClN3O3/c1-29-18-8-6-17(7-9-18)26-21(27)14-20(22(26)28)25-12-10-24(11-13-25)15-16-4-2-3-5-19(16)23/h2-9,20H,10-15H2,1H3
InChIKey JQENMSXIAJLCTB-UHFFFAOYSA-N
Molecular Weight 413.905 g/mol
SMILES C1=CC=C(CN2CCN(C3C(N(C(C3)=O)C=3C=CC(=CC3)OC)=O)CC2)C(Cl)=C1