Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1 |
InChIKey | InChI | 1.06 | MMRWQEDBDJLRBA-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O |
SMILES | CACTVS | 3.385 | CC(C)NC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F |