XDM
Summary
| Name: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
| Synonyms: | XDM1 |
| Formula: | C17 H19 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 318.798 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22) |
| InChIKey | InChI | 1.03 | KHTPXNJKROZWBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C |
