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

View entire compound with spectra: 2 NMR

3-[4-(4-Chlorobenzyl)-1-piperazinyl]-1-(3-methylphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 4XcdhuT0kDz
InChI InChI=1S/C22H24ClN3O2/c1-16-3-2-4-19(13-16)26-21(27)14-20(22(26)28)25-11-9-24(10-12-25)15-17-5-7-18(23)8-6-17/h2-8,13,20H,9-12,14-15H2,1H3
InChIKey GWMVWYCSNCNPMB-UHFFFAOYSA-N
Mol Weight 397.91 g/mol
Molecular Formula C22H24ClN3O2
Exact Mass 397.155705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ujKNcLKiYI
Name 3-[4-(4-Chlorobenzyl)-1-piperazinyl]-1-(3-methylphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.155704723 u
Formula C22H24ClN3O2
InChI InChI=1S/C22H24ClN3O2/c1-16-3-2-4-19(13-16)26-21(27)14-20(22(26)28)25-11-9-24(10-12-25)15-17-5-7-18(23)8-6-17/h2-8,13,20H,9-12,14-15H2,1H3
InChIKey GWMVWYCSNCNPMB-UHFFFAOYSA-N
Molecular Weight 397.906 g/mol
SMILES CC=1C=C(N2C(C(N3CCN(CC3)CC=3C=CC(=CC3)Cl)CC2=O)=O)C=CC1