09P
Summary
| Name: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane |
| Formula: | C12 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 221.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane |
| OpenEye OEToolkits | 1.7.2 | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1cc(cnc1)N2CCCNCC2)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3 |
| InChIKey | InChI | 1.03 | RQXFSCANOMMTFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1cncc(c1)N2CCCNCC2 |
| SMILES | CACTVS | 3.370 | CCOc1cncc(c1)N2CCCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cnc1)N2CCCNCC2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cnc1)N2CCCNCC2 |
