Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c2c(N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl |
InChI | InChI | 1.03 | InChI=1S/C25H32ClFN6/c1-16-10-18(11-17(2)23(16)27)15-33-22-13-19(26)12-21(32-7-3-4-20(32)14-28)24(22)30-25(33)31-8-5-29-6-9-31/h10-13,20,29H,3-9,14-15,28H2,1-2H3/t20-/m0/s1 |
InChIKey | InChI | 1.03 | CAPZSPOPEHSYOZ-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cn2c3cc(Cl)cc(N4CCC[C@H]4CN)c3nc2N5CCNCC5)cc(C)c1F |
SMILES | CACTVS | 3.385 | Cc1cc(Cn2c3cc(Cl)cc(N4CCC[CH]4CN)c3nc2N5CCNCC5)cc(C)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCCC5CN)Cl |