| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(=O)C(C3C(C1)(c2ccccc2)c5c(CC3)cn(C(c4ccccc4)=O)n5)C)C#N |
| InChI | InChI | 1.03 | InChI=1S/C26H23N3O2/c1-17-22-13-12-19-16-29(25(31)18-8-4-2-5-9-18)28-24(19)26(22,14-20(15-27)23(17)30)21-10-6-3-7-11-21/h2-11,16-17,20,22H,12-14H2,1H3/t17-,20-,22-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | NFNOOTFITPQOPV-OVTRCYTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@@H](C#N)C1=O)c4ccccc4)C(=O)c5ccccc5 |
| SMILES | CACTVS | 3.385 | C[CH]1[CH]2CCc3cn(nc3[C]2(C[CH](C#N)C1=O)c4ccccc4)C(=O)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C2CCc3cn(nc3C2(CC(C1=O)C#N)c4ccccc4)C(=O)c5ccccc5 |
