Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C15(CN(c2c1c(cc(F)c2)F)CCO)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 |
InChI | InChI | 1.03 | InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30) |
InChIKey | InChI | 1.03 | FZQYCOUBRJEYBC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCN1CC2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5c(F)cc(F)cc15 |
SMILES | CACTVS | 3.385 | OCCN1CC2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5c(F)cc(F)cc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F |