| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c2cc(Oc1ccccc1)ccc2)C3C(CNC3)Cc4nc(N)ccc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc(C[C@@H]2CNC[C@@H]2Oc3cccc(Oc4ccccc4)c3)n1 |
| SMILES | CACTVS | 3.370 | Nc1cccc(C[CH]2CNC[CH]2Oc3cccc(Oc4ccccc4)c3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2cccc(c2)OC3CNCC3Cc4cccc(n4)N |
| InChI | InChI | 1.03 | InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | MKBQBMWQPUXDQQ-IERDGZPVSA-N |
