Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C29H28ClFN4O2/c1-19-23(5-2-6-26(19)31)18-35-15-3-4-20(17-35)16-27-33-28(34-37-27)21-9-13-25(14-10-21)32-29(36)22-7-11-24(30)12-8-22/h2,5-14,20H,3-4,15-18H2,1H3,(H,32,36)/t20-/m0/s1 |
InChIKey | InChI | 1.06 | USLQGCUXEGLWGH-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(F)cccc1CN2CCC[C@H](C2)Cc3onc(n3)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4 |
SMILES | CACTVS | 3.385 | Cc1c(F)cccc1CN2CCC[CH](C2)Cc3onc(n3)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1F)CN2CCC[C@H](C2)Cc3nc(no3)c4ccc(cc4)NC(=O)c5ccc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1F)CN2CCCC(C2)Cc3nc(no3)c4ccc(cc4)NC(=O)c5ccc(cc5)Cl |