Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1 |
InChIKey | InChI | 1.03 | BBIPVJCGIASXJB-PKTZIBPZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2c(Nc3ccccc3)n(Cc4ccc(cc4)c5cccc(F)n5)nc2N6[C@H]7CCC[C@H]7N=C16 |
SMILES | CACTVS | 3.385 | CN1C(=O)c2c(Nc3ccccc3)n(Cc4ccc(cc4)c5cccc(F)n5)nc2N6[CH]7CCC[CH]7N=C16 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7 |
SMILES | OpenEye OEToolkits | 2.0.4 | CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=NC7C6CCC7 |