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