| SpectraBase Compound ID | JNoiI6XZftH |
|---|---|
| InChI | InChI=1S/C33H28ClN5O3/c34-26-14-10-23(11-15-26)8-9-24-12-16-28(17-13-24)42-22-32(40)38-31(19-25-20-36-30-7-2-1-6-29(25)30)33(41)39-37-21-27-5-3-4-18-35-27/h1-18,20-21,31,36H,19,22H2,(H,38,40)(H,39,41)/b9-8+,37-21+ |
| InChIKey | SPIKZXRPELIKTK-NEFIOCOYSA-N |
| Mol Weight | 578.1 g/mol |
| Molecular Formula | C33H28ClN5O3 |
| Exact Mass | 577.188067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uFL3RWUWCa |
|---|---|
| Name | N-(3-(1H-Indol-3-yl)-1-oxo-1-((E)-2-(pyridin-2-ylmethylene)hydrazinyl)propan-2-yl)-2-(4-(4-chlorostyryl)phenoxy)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 577.188067479 u |
| Formula | C33H28ClN5O3 |
| InChI | InChI=1S/C33H28ClN5O3/c34-26-14-10-23(11-15-26)8-9-24-12-16-28(17-13-24)42-22-32(40)38-31(19-25-20-36-30-7-2-1-6-29(25)30)33(41)39-37-21-27-5-3-4-18-35-27/h1-18,20-21,31,36H,19,22H2,(H,38,40)(H,39,41)/b9-8+,37-21+ |
| InChIKey | SPIKZXRPELIKTK-NEFIOCOYSA-N |
| Molecular Weight | 578.072 g/mol |
| SMILES | C1=CC(=CC=C1OCC(=O)NC(C(N\N=C\C1=NC=CC=C1)=O)CC=1C2=C(NC1)C=CC=C2)\C=C\C1=CC=C(C=C1)Cl |