種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(cc(c1C)c2c(F)c4c(cc2)oc(c3ccc(F)cc3)c4C(NC)=O)C(=O)NC6(c5ncccn5)CC6 |
InChI | InChI | 1.03 | InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38) |
InChIKey | InChI | 1.03 | LZAUGCMVNLZVJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(c(F)c12)c3cc(ccc3C)C(=O)NC4(CC4)c5ncccn5)c6ccc(F)cc6 |
SMILES | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(c(F)c12)c3cc(ccc3C)C(=O)NC4(CC4)c5ncccn5)c6ccc(F)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6 |