| SpectraBase Spectrum ID |
3GlxstPUFX2 |
| Name |
3A,4,7,7A-Tetrahydro-2-{4'-[4''-(2'''-quinolinyl)-1''-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.252526284 u |
| Formula |
C27H32N4O2 |
| InChI |
InChI=1S/C27H32N4O2/c32-26-24-20-7-8-21(10-9-20)25(24)27(33)31(26)14-4-3-13-29-15-17-30(18-16-29)23-12-11-19-5-1-2-6-22(19)28-23/h1-2,5-8,11-12,20-21,24-25H,3-4,9-10,13-18H2/t20-,21+,24-,25+ |
| InChIKey |
PZJIGXAWQIVUIL-OWPBHNNHSA-N |
| Molecular Weight |
444.579 g/mol |
| SMILES |
C1(N(C([C@]2([C@]3(C=C[C@@]([C@@]12[H])(CC3)[H])[H])[H])=O)CCCCN1CCN(C2=NC3=CC=CC=C3C=C2)CC1)=O |
![3A,4,7,7A-Tetrahydro-2-{4'-[4''-(2'''-quinolinyl)-1''-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione](/api/spectrum/3GlxstPUFX2/structure.png?h=300&w=458 "3A,4,7,7A-Tetrahydro-2-{4'-[4''-(2'''-quinolinyl)-1''-piperazinyl]butyl}-4,7-ethane-1H-isoindole-1,3(2H)-dione")
