| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | UQJDULLQUOPWND-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)[C@H](Cc1cccc(c1)C(=O)c2c[nH]c3ncccc23)C#N |
| SMILES | CACTVS | 3.370 | NC(=O)[CH](Cc1cccc(c1)C(=O)c2c[nH]c3ncccc23)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)CC(C#N)C(=O)N |
