A1JUX
Summary
| Name: | (1R,10S,12S)-15-oxa-3-azatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one |
| Formula: | C13 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.248 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13NO2/c15-12-13-8(5-6-16-13)7-10(13)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13-/m1/s1 |
| InChIKey | InChI | 1.06 | HYOYHRYUCBXXSL-DFAYQTQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2[C@@H]3C[C@H]4CCO[C@@]134 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2[CH]3C[CH]4CCO[C]134 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H]3C[C@@H]4[C@@]3(C(=O)N2)OCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C3CC4C3(C(=O)N2)OCC4 |
