Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | MHUJCWZTTGWJRK-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=O)[C@@H](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3 |
SMILES | CACTVS | 3.385 | COc1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC |