Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26) |
InChIKey | InChI | 1.03 | MITRKIWBJVJRAM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F |