Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4 |
InChI | InChI | 1.03 | InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | LSMKBOZJAWCJNL-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3ccccc13)C4CC4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3ccccc13)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F |