Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | NJXUEBRIEJJDBY-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
SMILES | CACTVS | 3.385 | CC[C](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@](c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O |