Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(CCCCCOc2ccc(cc2Cl)C3=NCCO3)on1 |
SMILES | CACTVS | 3.341 | Cc1cc(CCCCCOc2ccc(cc2Cl)C3=NCCO3)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3 |
InChI | InChI | 1.03 | InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3 |
InChIKey | InChI | 1.03 | FCSKOFQQCWLGMV-UHFFFAOYSA-N |