Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1 |
InChIKey | InChI | 1.06 | GPTUSHRRTGGGTD-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | F[C@@H]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24 |
SMILES | CACTVS | 3.385 | F[CH]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CC[C@H](C4)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F)Cl |