| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2ccc1cc(ccc1c2)c5cc(OCC(N)CC3c4ccccc4N=C3)cnc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](COc1cncc(c1)c2ccc3cnccc3c2)C[C@H]4C=Nc5ccccc45 |
| SMILES | CACTVS | 3.341 | N[CH](COc1cncc(c1)c2ccc3cnccc3c2)C[CH]4C=Nc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(C=N2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N |
| InChI | InChI | 1.03 | InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,21-22H,10,16,26H2/t21?,22-/m0/s1 |
| InChIKey | InChI | 1.03 | BUCZDJYEOAQTHL-KEKNWZKVSA-N |
