Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(c(F)cc1)C(CNC(=O)OC(C)(C)C)Cc2cc3ccccc3nc2 |
InChI | InChI | 1.03 | InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | IRFHMTUHTBSEBK-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c3cc(F)ccc3F |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)NC[CH](Cc1cnc2ccccc2c1)c3cc(F)ccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)NCC(Cc1cc2ccccc2nc1)c3cc(ccc3F)F |