Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(ccc1Cl)c2cncc3c2CCCC3NC(CC)=O)F |
InChI | InChI | 1.03 | InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | BTXHAHICPWSTRI-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(Cl)c(F)c3 |
SMILES | CACTVS | 3.385 | CCC(=O)N[CH]1CCCc2c1cncc2c3ccc(Cl)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)NC1CCCc2c1cncc2c3ccc(c(c3)F)Cl |