Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H16FN3O2/c1-11(8-13-4-2-3-5-14(13)19)17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,24)/b11-8+ |
InChIKey | InChI | 1.03 | MNPHMLQQNDWSRS-DHZHZOJOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=C\c1ccccc1F)/C(=O)NCc2ccc3NC(=O)Nc3c2 |
SMILES | CACTVS | 3.385 | CC(=Cc1ccccc1F)C(=O)NCc2ccc3NC(=O)Nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=Cc1ccccc1F)C(=O)NCc2ccc3c(c2)NC(=O)N3 |