09R
Summary
| Name: | 1-(6-bromopyridin-3-yl)-1,4-diazepane |
| Formula: | C10 H14 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 256.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(6-bromopyridin-3-yl)-1,4-diazepane |
| OpenEye OEToolkits | 1.7.2 | 1-(6-bromanylpyridin-3-yl)-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ncc(cc1)N2CCCNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2 |
| InChIKey | InChI | 1.03 | JRNYLCIPPWHNEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc(cn1)N2CCCNCC2 |
| SMILES | CACTVS | 3.370 | Brc1ccc(cn1)N2CCCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ncc1N2CCCNCC2)Br |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ncc1N2CCCNCC2)Br |
