SpectraBase Spectrum ID |
EQGcQbZpDfZ |
Name |
Ethyl 5-chloro-3-({[4-(2-pyridinyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
441.156767350 u |
Formula |
C22H24ClN5O3 |
InChI |
InChI=1S/C22H24ClN5O3/c1-2-31-22(30)21-20(16-13-15(23)6-7-17(16)25-21)26-19(29)14-27-9-11-28(12-10-27)18-5-3-4-8-24-18/h3-8,13,25H,2,9-12,14H2,1H3,(H,26,29) |
InChIKey |
JYQDVLZTHCROAK-UHFFFAOYSA-N |
Molecular Weight |
441.919 g/mol |
SMILES |
N1C2=CC=C(C=C2C(=C1C(=O)OCC)NC(CN1CCN(CC1)C1=NC=CC=C1)=O)Cl |