種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H24F2N4O/c1-13(2)15-9-20-23(21(30)10-15)26-27-29(20)17-11-18(24)22(19(25)12-17)14-6-5-7-16(8-14)28(3)4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | XGSICBDUCCZAFB-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1 |
SMILES | CACTVS | 3.385 | CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1 |