| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | GKJCVYLDJWTWQU-CXLRFSCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl |
| SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)C=Cc4cnn(c4)CCO |
