Z92
Summary
| Name: | (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Synonyms: | (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one |
| Formula: | C17 H15 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 358.779 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.352 | COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(cc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23) |
| InChIKey | InChI | 1.03 | UXJPKQXTZFNBHT-UHFFFAOYSA-N |
