![N-[(Z)-2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methylbenzamide](/api/spectrum/1rUur97DaJK/structure.png?h=300&w=458 "N-[(Z)-2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methylbenzamide")
| SpectraBase Compound ID | 7DsHnbnwsVm |
|---|---|
| InChI | InChI=1S/C32H29ClN6O2/c1-23-8-10-25(11-9-23)31(40)36-29(32(41)35-16-5-18-38-19-17-34-22-38)20-26-21-39(28-6-3-2-4-7-28)37-30(26)24-12-14-27(33)15-13-24/h2-4,6-15,17,19-22H,5,16,18H2,1H3,(H,35,41)(H,36,40)/b29-20- |
| InChIKey | MLHKFYUYKNVUDV-BRPDVVIDSA-N |
| Mol Weight | 565.1 g/mol |
| Molecular Formula | C32H29ClN6O2 |
| Exact Mass | 564.204052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rUur97DaJK |
|---|---|
| Name | N-[(Z)-2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 564.204051896 u |
| Formula | C32H29ClN6O2 |
| InChI | InChI=1S/C32H29ClN6O2/c1-23-8-10-25(11-9-23)31(40)36-29(32(41)35-16-5-18-38-19-17-34-22-38)20-26-21-39(28-6-3-2-4-7-28)37-30(26)24-12-14-27(33)15-13-24/h2-4,6-15,17,19-22H,5,16,18H2,1H3,(H,35,41)(H,36,40)/b29-20- |
| InChIKey | MLHKFYUYKNVUDV-BRPDVVIDSA-N |
| Molecular Weight | 565.077 g/mol |
| SMILES | N(\C(C(=O)NCCCN1C=NC=C1)=C/C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=C(C=C1)Cl)C(C1=CC=C(C=C1)C)=O |