Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(c(F)c1)c2cc(cc3c2CNC(=O)N3c4c(Cl)cccc4Cl)N5CCNCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(c(F)c1)c2cc(cc3N(C(=O)NCc23)c4c(Cl)cccc4Cl)N5CCNCC5 |
SMILES | CACTVS | 3.341 | Fc1ccc(c(F)c1)c2cc(cc3N(C(=O)NCc23)c4c(Cl)cccc4Cl)N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33) |
InChIKey | InChI | 1.03 | YAWZIQKDHQIHOS-UHFFFAOYSA-N |