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3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(3-chloro-4-methylphenyl)-2,5-pyrrolidinedione

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3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(3-chloro-4-methylphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID HJJwid8XWFI
InChI InChI=1S/C23H24ClN3O4/c1-15-2-4-17(11-18(15)24)27-22(28)12-19(23(27)29)26-8-6-25(7-9-26)13-16-3-5-20-21(10-16)31-14-30-20/h2-5,10-11,19H,6-9,12-14H2,1H3
InChIKey FESAVINAIRTZJW-UHFFFAOYSA-N
Mol Weight 441.92 g/mol
Molecular Formula C23H24ClN3O4
Exact Mass 441.145534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDsv7zzGP8f
Name 3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(3-chloro-4-methylphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.145533961 u
Formula C23H24ClN3O4
InChI InChI=1S/C23H24ClN3O4/c1-15-2-4-17(11-18(15)24)27-22(28)12-19(23(27)29)26-8-6-25(7-9-26)13-16-3-5-20-21(10-16)31-14-30-20/h2-5,10-11,19H,6-9,12-14H2,1H3
InChIKey FESAVINAIRTZJW-UHFFFAOYSA-N
Molecular Weight 441.915 g/mol
SMILES CC1=CC=C(N2C(C(N3CCN(CC3)CC3=CC=4OCOC4C=C3)CC2=O)=O)C=C1Cl