Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)C4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H18FN5O2/c19-12-1-3-13(4-2-12)22-18(26)14-10-21-24-16(25)9-15(23-17(14)24)11-5-7-20-8-6-11/h1-4,9-11,20,25H,5-8H2,(H,22,26) |
InChIKey | InChI | 1.03 | SBDJADVTLNKDBC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4 |
SMILES | CACTVS | 3.370 | Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F |