09O
Summary
| Name: | 1-(pyridin-3-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-3-yl)-1,4-diazepane |
| OpenEye OEToolkits | 1.7.2 | 1-pyridin-3-yl-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(ccc1)N2CCCNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2 |
| InChIKey | InChI | 1.03 | JBOVXXZNZSULJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1CNCCN(C1)c2cccnc2 |
| SMILES | CACTVS | 3.370 | C1CNCCN(C1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cnc1)N2CCCNCC2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cnc1)N2CCCNCC2 |
