| SpectraBase Spectrum ID |
3esaCSX25O6 |
| Name |
1H-Isoindole-1,3(2H)-dione, 3A,4,7,7A-tetrahydro-2-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.200156357 u |
| Formula |
C26H27N3O4 |
| InChI |
InChI=1S/C26H27N3O4/c1-33-21-11-9-19(10-12-21)27-13-15-28(16-14-27)24(30)18-5-4-6-20(17-18)29-25(31)22-7-2-3-8-23(22)26(29)32/h2-6,9-12,17,22-23H,7-8,13-16H2,1H3 |
| InChIKey |
ILHZQKHDKUUGQA-UHFFFAOYSA-N |
| Molecular Weight |
445.519 g/mol |
| SMILES |
COC=1C=CC(N2CCN(C(C3=CC(N4C(C5CC=CCC5C4=O)=O)=CC=C3)=O)CC2)=CC1 |
![1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]-](/api/spectrum/3esaCSX25O6/structure.png?h=300&w=458 "1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]-")
