Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.352 | Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1 |
SMILES | CACTVS | 3.352 | Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F |
InChI | InChI | 1.03 | InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23) |
InChIKey | InChI | 1.03 | ZMWYSLJBNJUCRK-UHFFFAOYSA-N |