| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CC(=O)N(C1)C(c1nccn1C)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1 |
| InChIKey | InChI | 1.06 | WFFNOQGVJJRMPK-JSGCOSHPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1[C@H](N2C[C@H](CC2=O)C(N)=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cn1ccnc1[CH](N2C[CH](CC2=O)C(N)=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1ccnc1[C@@H](c2ccccc2)N3C[C@H](CC3=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1ccnc1C(c2ccccc2)N3CC(CC3=O)C(=O)N |
