Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3c(OCCCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1 |
SMILES | CACTVS | 3.341 | Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3 |
InChIKey | InChI | 1.03 | JJDHAOLOHQTGMG-UHFFFAOYSA-N |