Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,12,19,25H,7H2,(H,21,23)/b19-13+/t12-/m1/s1 |
InChIKey | InChI | 1.03 | KQQAEMXQZXBXSU-MCMJHOFTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)[C@@H](C(=O)NCc2ccc(F)cc2F)C(=N)c3cccnc13 |
SMILES | CACTVS | 3.385 | ON1C(=O)[CH](C(=O)NCc2ccc(F)cc2F)C(=N)c3cccnc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(nc1)N(C(=O)C(C2=N)C(=O)NCc3ccc(cc3F)F)O |