W1X
Summary
| Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide |
| Formula: | C13 H12 F3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.248 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-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12F3N3O3/c14-13(15,16)8-5-6(17)1-2-7(8)11(21)18-9-3-4-10(20)19-12(9)22/h1-2,5,9H,3-4,17H2,(H,18,21)(H,19,20,22)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | HPKPRXOHNCNKLQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)c(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1ccc(C(=O)N[CH]2CCC(=O)NC2=O)c(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)C(F)(F)F)C(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)C(F)(F)F)C(=O)NC2CCC(=O)NC2=O |
