8TS
Summary
| Name: | 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile |
| Formula: | C12 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 230.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | 6-(4-ethanoylpiperazin-1-yl)pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)c2ccc(C#N)cn2)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-3-2-11(8-13)9-14-12/h2-3,9H,4-7H2,1H3 |
| InChIKey | InChI | 1.03 | QSGQDSQDQFHEBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(cn2)C#N |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(cn2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccc(cn2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccc(cn2)C#N |
