Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H20FN5O/c1-12-19-21(29-28-12)30-20(26)17(11-25)23(19)16-8-14(13-4-6-27-7-5-13)9-18(24)15(16)10-22(23,2)3/h4-9H,10,26H2,1-3H3,(H,28,29)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | QSHPRVNBDFMPTJ-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc2OC(=C(C#N)[C@]3(c4cc(cc(F)c4CC3(C)C)c5ccncc5)c12)N |
SMILES | CACTVS | 3.385 | Cc1[nH]nc2OC(=C(C#N)[C]3(c4cc(cc(F)c4CC3(C)C)c5ccncc5)c12)N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(n[nH]1)OC(=C(C23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N |