TWE
Summary
| Name: | 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c15-9-11-5-7-16(8-6-11)14(18)13-3-1-12(10-17)2-4-13/h1-4,10-11H,5-8H2 |
| InChIKey | InChI | 1.03 | JTXBUBGZUJFNLQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N |
