SX9
Summary
| Name: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
| Formula: | C15 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[(~{E})-3-phenylprop-1-enyl]piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ |
| InChIKey | InChI | 1.06 | ZITAIQWIBNEJAO-WEVVVXLNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)/C=C/Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C=CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)/C=C/Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)C=CCc2ccccc2 |
