W6J
Summary
| Name: | 1-(pyridin-2-yl)-1,4-diazepane |
| Formula: | C10 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 177.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(pyridin-2-yl)-1,4-diazepane |
| OpenEye OEToolkits | 2.0.7 | 1-pyridin-2-yl-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CN(c1ncccc1)CCCN2 |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2 |
| InChIKey | InChI | 1.03 | YIVVBOYHOANILT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNCCN(C1)c2ccccn2 |
| SMILES | CACTVS | 3.385 | C1CNCCN(C1)c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCCNCC2 |
