5QY
Summary
| Name: | (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one |
| Formula: | C9 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 162.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | BEAJCHFCYQOFGS-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Nc2ccccc2NC1=O |
| SMILES | CACTVS | 3.385 | C[CH]1Nc2ccccc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@H]1C(=O)Nc2ccccc2N1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1C(=O)Nc2ccccc2N1 |
