Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccccc1c4cc3OCC2=NNC(=O)C(N2c3cc4C5CCN(C)CC5C)C |
InChI | InChI | 1.03 | InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15-,16+/m1/s1 |
InChIKey | InChI | 1.03 | BLWOBXIQFDYTRF-OAGGEKHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(C)CC[C@@H]1c2cc3N4[C@H](C)C(=O)NN=C4COc3cc2c5ccccc5F |
SMILES | CACTVS | 3.385 | C[CH]1CN(C)CC[CH]1c2cc3N4[CH](C)C(=O)NN=C4COc3cc2c5ccccc5F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CN(CCC1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)C(N35)C)C |