W1F
Summary
| Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide |
| Formula: | C13 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 277.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O4/c1-20-10-6-7(14)2-3-8(10)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | SLGDHJMSLPDYEO-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(N)ccc1C(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | COc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1C(=O)N[C@H]2CCC(=O)NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1C(=O)NC2CCC(=O)NC2=O)N |
