A1JEN
Summary
| Name: | (8~{a}~{R})-7-(phenylcarbonyl)-5,6,8,8~{a}-tetrahydro-1~{H}-[1,3]oxazolo[3,4-a]pyrazin-3-one |
| Formula: | C13 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 246.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{a}~{R})-7-(phenylcarbonyl)-5,6,8,8~{a}-tetrahydro-1~{H}-[1,3]oxazolo[3,4-a]pyrazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O3/c16-12(10-4-2-1-3-5-10)14-6-7-15-11(8-14)9-18-13(15)17/h1-5,11H,6-9H2/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | FNXRDCKOSXXTFN-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OC[C@H]2CN(CCN12)C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C1OC[CH]2CN(CCN12)C(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)N2CCN3[C@H](C2)COC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)N2CCN3C(C2)COC3=O |
