Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c51CCC(Oc1cc(N4CC3=CN(Cc2ccccc2)C(CC3=NC4=O)=O)c(C)c5)c6c(cccn6)F |
InChI | InChI | 1.03 | InChI=1S/C29H25FN4O3/c1-18-12-20-9-10-25(28-22(30)8-5-11-31-28)37-26(20)14-24(18)34-17-21-16-33(15-19-6-3-2-4-7-19)27(35)13-23(21)32-29(34)36/h2-8,11-12,14,16,25H,9-10,13,15,17H2,1H3/t25-/m1/s1 |
InChIKey | InChI | 1.03 | IHLUBSALJUDYDX-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2CC[C@@H](Oc2cc1N3CC4=CN(Cc5ccccc5)C(=O)CC4=NC3=O)c6ncccc6F |
SMILES | CACTVS | 3.385 | Cc1cc2CC[CH](Oc2cc1N3CC4=CN(Cc5ccccc5)C(=O)CC4=NC3=O)c6ncccc6F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)OC(CC2)c6c(cccn6)F |