MMH
Summary
| Name: | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide |
| Synonyms: | (E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide |
| Formula: | C21 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 406.438 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 1.5.0 | N-(3-acetamidophenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-2H-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cccc(c1)NC(=O)c3c(nnc3N/N=C/c2ccc(OC)cc2)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)/C=N/Nc2[nH]nc(C)c2C(=O)Nc3cccc(NC(C)=O)c3 |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)C=NNc2[nH]nc(C)c2C(=O)Nc3cccc(NC(C)=O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)NN=Cc2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+ |
| InChIKey | InChI | 1.03 | NIZPETVEBKMXKW-WSDLNYQXSA-N |
