Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H17FN6O2/c22-16-6-7-18-14(8-9-30-18)15(16)10-23-21-24-11-17(19-27-25-12-28(19)21)26-20(29)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,24)(H,26,29) |
InChIKey | InChI | 1.03 | HNOVSELXQVAOAN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2OCCc2c1CNc3ncc(NC(=O)c4ccccc4)c5nncn35 |
SMILES | CACTVS | 3.385 | Fc1ccc2OCCc2c1CNc3ncc(NC(=O)c4ccccc4)c5nncn35 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F |