| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23N5O/c22-14-17-7-4-8-23-20(17)25-9-11-26(12-10-25)21(27)19-13-18(15-24-19)16-5-2-1-3-6-16/h1-8,18-19,24H,9-13,15H2/t18-,19-/m1/s1 |
| InChIKey | InChI | 1.06 | ZOCRTPMGIHWFKT-RTBURBONSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C([C@H]1C[C@H](CN1)c2ccccc2)N3CCN(CC3)c4ncccc4C#N |
| SMILES | CACTVS | 3.385 | O=C([CH]1C[CH](CN1)c2ccccc2)N3CCN(CC3)c4ncccc4C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2C[C@@H](NC2)C(=O)N3CCN(CC3)c4c(cccn4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC(NC2)C(=O)N3CCN(CC3)c4c(cccn4)C#N |
