WO7
Summary
| Name: | 1-(1,4-diazepan-1-yl)ethan-1-one |
| Formula: | C7 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 142.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1,4-diazepan-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(1,4-diazepan-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CNCCCN1C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | TWJPZMYNUBAUGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCCNCC1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCCNCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCNCC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCNCC1 |
