Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2Cl)Cn3ccnc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(CO[C@@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 |
SMILES | CACTVS | 3.370 | Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1 |
InChIKey | InChI | 1.03 | BYBLEWFAAKGYCD-SFHVURJKSA-N |