種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27) |
InChIKey | InChI | 1.03 | YKOSORGDWOWAJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5 |