Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(#N)c4c3c1cc(c(nc1)N)OC(c2cc(ccc2C(N(Cc3nn4C)C)=O)F)C |
InChI | InChI | 1.03 | InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | IIXWYSCJSQVBQM-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N |
SMILES | CACTVS | 3.385 | C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F |