Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N3CCOCC3)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | F[C@@H]1C[C@H](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)N4CCOCC4 |
SMILES | CACTVS | 3.341 | F[CH]1C[CH](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F |
InChI | InChI | 1.03 | InChI=1S/C23H25ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-11,14,18,20H,6-9,12-13,15H2,(H,27,29)/t18-,20-/m0/s1 |
InChIKey | InChI | 1.03 | YQJVDUKATDECHF-ICSRJNTNSA-N |