Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)Nc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F |
InChI | InChI | 1.03 | InChI=1S/C21H16FN5O2/c1-14(28)24-15-5-4-6-16(13-15)26-12-10-20(29)21(25-26)19-9-11-23-27(19)18-8-3-2-7-17(18)22/h2-13H,1H3,(H,24,28) |
InChIKey | InChI | 1.03 | UROQMGYHXBJWAK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4ccccc4F |