S7T
Summary
| Name: | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide |
| Synonyms: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide |
| Formula: | C19 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 357.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24) |
| InChIKey | InChI | 1.03 | JZECKTZTLWIBPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(CCC(=O)NO)c2 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(CCC(=O)NO)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C |
