S5J
Summary
| Name: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile |
| Formula: | C13 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 231.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3 |
| InChIKey | InChI | 1.03 | CMNAMTJQXKKSGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)CC#N |
| SMILES | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccccc1N2CCN(CC2)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccccc1N2CCN(CC2)CC#N |
