PQV
Summary
| Name: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide |
| Formula: | C10 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 213.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide |
| OpenEye OEToolkits | 2.0.7 | (2~{E})-~{N}-[2-(azepan-1-yl)ethyl]-2-hydroxyimino-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(CCCCC1)CCNC(\C=N\O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+ |
| InChIKey | InChI | 1.03 | VIABFASHQHHYNB-FMIVXFBMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/N=C/C(=O)NCCN1CCCCCC1 |
| SMILES | CACTVS | 3.385 | ON=CC(=O)NCCN1CCCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCCN(CC1)CCNC(=O)/C=N/O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCCN(CC1)CCNC(=O)C=NO |
