![N-[(E)-2-(4-chlorophenyl)-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methoxybenzamide](/api/spectrum/CmQucyCGAMB/structure.png?h=300&w=458 "N-[(E)-2-(4-chlorophenyl)-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methoxybenzamide")
| SpectraBase Compound ID | HmYj1Xtl6UJ |
|---|---|
| InChI | InChI=1S/C23H23ClN4O3/c1-31-20-9-5-18(6-10-20)22(29)27-21(15-17-3-7-19(24)8-4-17)23(30)26-11-2-13-28-14-12-25-16-28/h3-10,12,14-16H,2,11,13H2,1H3,(H,26,30)(H,27,29)/b21-15+ |
| InChIKey | LPGOUBKYUPUIAO-RCCKNPSSSA-N |
| Mol Weight | 438.92 g/mol |
| Molecular Formula | C23H23ClN4O3 |
| Exact Mass | 438.145868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmQucyCGAMB |
|---|---|
| Name | N-[(E)-2-(4-Chlorophenyl)-1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)ethenyl]-4-methoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.145868314 u |
| Formula | C23H23ClN4O3 |
| InChI | InChI=1S/C23H23ClN4O3/c1-31-20-9-5-18(6-10-20)22(29)27-21(15-17-3-7-19(24)8-4-17)23(30)26-11-2-13-28-14-12-25-16-28/h3-10,12,14-16H,2,11,13H2,1H3,(H,26,30)(H,27,29)/b21-15+ |
| InChIKey | LPGOUBKYUPUIAO-RCCKNPSSSA-N |
| Molecular Weight | 438.915 g/mol |
| SMILES | N(\C(C(=O)NCCCN1C=NC=C1)=C\C=1C=CC(Cl)=CC1)C(C=1C=CC(OC)=CC1)=O |