| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | KWNFNOGHHWZOOZ-LZZAFKOHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N=C[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3 |
| SMILES | CACTVS | 3.385 | N=C[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3CCCCN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC(C=N)NC(=O)C2CCCCN2)c3ccc(cc3)C#N |
