| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc2c(cc1)N(C(=O)C2CC#N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | PFJVUECMVVMLTI-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)[C@H](CC#N)c2cc(NC(C)=O)ccc12 |
| SMILES | CACTVS | 3.370 | CN1C(=O)[CH](CC#N)c2cc(NC(C)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc2c(c1)C(C(=O)N2C)CC#N |
