W7X
Summary
| Name: | 1-(6-methylpyridin-2-yl)-1,4-diazepane |
| Formula: | C11 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 191.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(6-methylpyridin-2-yl)-1,4-diazepane |
| OpenEye OEToolkits | 2.0.7 | 1-(6-methylpyridin-2-yl)-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nc(ccc1)N1CCCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | JKXRJULPFYHASQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(n1)N2CCCNCC2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(n1)N2CCCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)N2CCCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)N2CCCNCC2 |
