Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-7-13(23)2-4-16(17)22(28)31)21(30)27-19-9-26-8-12-6-14(24)3-5-15(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | VVKKILAVDZOKCI-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O |
SMILES | CACTVS | 3.385 | CNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F |