| SpectraBase Spectrum ID |
GLrNaMadVoF |
| Name |
2-(2-{4-[(2E)-3-(2-Thienyl)-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 |
445.146012784 u |
| Formula |
C25H23N3O3S |
| InChI |
InChI=1S/C25H23N3O3S/c29-22(10-9-19-6-3-17-32-19)27-14-11-26(12-15-27)13-16-28-24(30)20-7-1-4-18-5-2-8-21(23(18)20)25(28)31/h1-10,17H,11-16H2/b10-9+ |
| InChIKey |
MQJWOTUIWICXNM-MDZDMXLPSA-N |
| Molecular Weight |
445.537 g/mol |
| SMILES |
C=1C=CC=2C(N(C(C3=CC=CC1C23)=O)CCN1CCN(CC1)C(\C=C\C=1SC=CC1)=O)=O |
![2-(2-{4-[(2E)-3-(2-thienyl)-2-propenoyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/GLrNaMadVoF/structure.png?h=300&w=458 "2-(2-{4-[(2E)-3-(2-thienyl)-2-propenoyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione")
