T4V
Summary
| Name: | 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one |
| Formula: | C17 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 268.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23 |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3 |
| InChIKey | InChI | 1.03 | OCMXSYZDVBVSSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3 |
