Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(c(F)c1)C(=O)c3cc[n+]([O-])c(c2c(cccc2)C)c3N |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1c2c(N)c(cc[n+]2[O-])C(=O)c3ccc(F)cc3F |
SMILES | CACTVS | 3.341 | Cc1ccccc1c2c(N)c(cc[n+]2[O-])C(=O)c3ccc(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N |
InChI | InChI | 1.03 | InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3 |
InChIKey | InChI | 1.03 | LTGBWAXSDFOJNJ-UHFFFAOYSA-N |