Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc5cc4c2c1c(cc(cc1c3c([n+]2C)ccc(F)c3)C)N(c4cc5)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C |
SMILES | CACTVS | 3.341 | CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F |
InChI | InChI | 1.03 | InChI=1S/C22H17F2N2/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22/h4-11H,1-3H3/q+1 |
InChIKey | InChI | 1.03 | FJUYVGXXNUNWDT-UHFFFAOYSA-N |