| PDB CCD ID: | A1BE9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N O |
| InChI: | 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: | ZHZWNSMXXNQTPO-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | CC(=O)N1CC2CCC1c3c2cccc3 | | CACTVS 3.385 | CC(=O)N1C[C@H]2CC[C@@H]1c3ccccc23 | | OpenEye OEToolkits 3.1.0.0 | CC(=O)N1C[C@H]2CC[C@@H]1c3c2cccc3 | | CACTVS 3.385 | CC(=O)N1C[CH]2CC[CH]1c3ccccc23 | | ACDLabs 14.52 | CC(=O)N1CC2CCC1c1ccccc12 |
|
| Name: | 1-[(1S,4S)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalen-10-yl]ethan-1-one |
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