9ZB
Summary
| Name: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one |
| Formula: | C13 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 218.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | VDEKFYBSRAMPIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(C(=O)CC)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CCN1CCN(C(=O)CC)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)CC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)CC |
