Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | PCBMXBZZXJYVCE-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccnc1C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N |
SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N |