Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | LECZXZOBEZITCL-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C |
SMILES | CACTVS | 3.385 | C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(nc1N2CCc3ccccc3C2C)Nc4ccc(cc4)F)C |