7SE
Summary
| Name: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione |
| Formula: | C11 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.223 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QFGWCBAWFMYBCK-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nn(n2)C3CCC(=O)NC3=O |
