| SpectraBase Spectrum ID |
CPQuuL7v0Gd |
| Name |
2-Pyrrol4-[4-(4-chloro-phenyl)-piperazin-1-yl]-butylmorpho-benzo[de]isoquinoline-1,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.171354787 u |
| Formula |
C26H26ClN3O2 |
| InChI |
InChI=1S/C26H26ClN3O2/c27-20-9-11-21(12-10-20)29-17-15-28(16-18-29)13-1-2-14-30-25(31)22-7-3-5-19-6-4-8-23(24(19)22)26(30)32/h3-12H,1-2,13-18H2 |
| InChIKey |
FVJICCGFMTWILW-UHFFFAOYSA-N |
| Molecular Weight |
447.966 g/mol |
| SMILES |
C1=CC2=C3C(=C1)C(N(CCCCN1CCN(CC1)C1=CC=C(C=C1)Cl)C(C3=CC=C2)=O)=O |
![2-Pyrrol4-[4-(4-chloro-phenyl)-piperazin-1-yl]-butylmorpho-benzo[de]isoquinoline-1,3-dione](/api/spectrum/CPQuuL7v0Gd/structure.png?h=300&w=458 "2-Pyrrol4-[4-(4-chloro-phenyl)-piperazin-1-yl]-butylmorpho-benzo[de]isoquinoline-1,3-dione")
