Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c2c(c1ccccc1Cl)cc(cc2n(Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl |
InChI | InChI | 1.03 | InChI=1S/C26H25Cl2FN4/c1-16-11-18(12-17(2)24(16)29)15-33-23-14-19(27)13-21(20-5-3-4-6-22(20)28)25(23)31-26(33)32-9-7-30-8-10-32/h3-6,11-14,30H,7-10,15H2,1-2H3 |
InChIKey | InChI | 1.03 | YIYWIIQFTVKZTC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)cc(C)c1F |
SMILES | CACTVS | 3.385 | Cc1cc(Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)cc(C)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl |