Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4cc(cn1c4nnc1C(F)(c3cc2cc(OC)cnc2cc3)C)c5onc(c5)C |
InChI | InChI | 1.03 | InChI=1S/C22H17F2N5O2/c1-12-6-19(31-28-12)14-9-17(23)20-26-27-21(29(20)11-14)22(2,24)15-4-5-18-13(7-15)8-16(30-3)10-25-18/h4-11H,1-3H3/t22-/m1/s1 |
InChIKey | InChI | 1.03 | WIXYFSZDBHGKBE-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cnc2ccc(cc2c1)[C@@](C)(F)c3nnc4n3cc(cc4F)c5onc(C)c5 |
SMILES | CACTVS | 3.385 | COc1cnc2ccc(cc2c1)[C](C)(F)c3nnc4n3cc(cc4F)c5onc(C)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)(c4ccc5c(c4)cc(cn5)OC)F)F |