| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1ccc(cc1)\C=C\c4cc(OCC(N)Cc3c2ccccc2nc3)cnc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc3c[nH]c4ccccc34 |
| SMILES | CACTVS | 3.341 | N[CH](COc1cncc(C=Cc2ccncc2)c1)Cc3c[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N |
| InChI | InChI | 1.03 | InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | SGHXFHRRWFLILP-XJDXJNMNSA-N |
