Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc3ccccn3)c4occc4 |
SMILES | CACTVS | 3.370 | Oc1c(cc(Cl)c2cccnc12)[CH](Nc3ccccn3)c4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)NC(c2ccco2)c3cc(c4cccnc4c3O)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | SZEZEZHDZJZXEC-QGZVFWFLSA-N |