Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3 |
InChI | InChI | 1.03 | InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1 |
InChIKey | InChI | 1.03 | LEZWWPYKPKIXLL-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 |
SMILES | CACTVS | 3.370 | Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl |