Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21 |
InChI | InChI | 1.06 | InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/m1/s1 |
InChIKey | InChI | 1.06 | OVXVQSQKNSMPOY-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3ccc(F)cc23 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3c2cc(cc3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F |