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2-(2-{4-[(2E)-3-(1-naphthyl)-2-propenoyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

View entire compound with spectra: 2 NMR

2-(2-{4-[(2E)-3-(1-naphthyl)-2-propenoyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 2nEhxSHT0CM
InChI InChI=1S/C31H27N3O3/c35-28(15-14-23-8-3-7-22-6-1-2-11-25(22)23)33-19-16-32(17-20-33)18-21-34-30(36)26-12-4-9-24-10-5-13-27(29(24)26)31(34)37/h1-15H,16-21H2/b15-14+
InChIKey XCNIMVDKDKXYGM-CCEZHUSRSA-N
Mol Weight 489.58 g/mol
Molecular Formula C31H27N3O3
Exact Mass 489.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MAG9zCdCAJ
Name 2-(2-{4-[(2E)-3-(1-Naphthyl)-2-propenoyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.205241738 u
Formula C31H27N3O3
InChI InChI=1S/C31H27N3O3/c35-28(15-14-23-8-3-7-22-6-1-2-11-25(22)23)33-19-16-32(17-20-33)18-21-34-30(36)26-12-4-9-24-10-5-13-27(29(24)26)31(34)37/h1-15H,16-21H2/b15-14+
InChIKey XCNIMVDKDKXYGM-CCEZHUSRSA-N
Molecular Weight 489.575 g/mol
SMILES C=1C=CC=2C(\C=C\C(N3CCN(CCN4C(C5=CC=CC6=C5C(C4=O)=CC=C6)=O)CC3)=O)=CC=CC2C1