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2-(3-(4-(4-methoxyphenyl)piperazin-1-yl)-3-oxopropyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione

View entire compound with spectra: 2 NMR

2-(3-(4-(4-methoxyphenyl)piperazin-1-yl)-3-oxopropyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
SpectraBase Compound ID 2vYoV1EOLzR
InChI InChI=1S/C24H29N3O4/c1-31-19-8-6-18(7-9-19)25-12-14-26(15-13-25)20(28)10-11-27-23(29)21-16-2-3-17(5-4-16)22(21)24(27)30/h2-3,6-9,16-17,21-22H,4-5,10-15H2,1H3
InChIKey RBYSLQZJDHVWGY-UHFFFAOYSA-N
Mol Weight 423.51 g/mol
Molecular Formula C24H29N3O4
Exact Mass 423.215806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24JKVBftvH3
Name 2-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-oxopropyl)-3A,4,7,7A-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.215806422 u
Formula C24H29N3O4
InChI InChI=1S/C24H29N3O4/c1-31-19-8-6-18(7-9-19)25-12-14-26(15-13-25)20(28)10-11-27-23(29)21-16-2-3-17(5-4-16)22(21)24(27)30/h2-3,6-9,16-17,21-22H,4-5,10-15H2,1H3
InChIKey RBYSLQZJDHVWGY-UHFFFAOYSA-N
Molecular Weight 423.513 g/mol
SMILES COC=1C=CC(N2CCN(C(CCN3C(C4C5C=CC(C4C3=O)CC5)=O)=O)CC2)=CC1