A1BE9
Summary
| Name: | 1-[(1S,4S)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalen-10-yl]ethan-1-one |
| Formula: | C13 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 201.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(1S,4S)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalen-10-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(1~{S},8~{R})-9-azatricyclo[6.2.2.0^{2,7}]dodeca-2,4,6-trien-9-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)N1CC2CCC1c1ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO/c1-9(15)14-8-10-6-7-13(14)12-5-3-2-4-11(10)12/h2-5,10,13H,6-8H2,1H3 |
| InChIKey | InChI | 1.06 | ZHZWNSMXXNQTPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@H]2CC[C@@H]1c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(=O)N1C[CH]2CC[CH]1c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1C[C@H]2CC[C@@H]1c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CC2CCC1c3c2cccc3 |
