種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4c3ccc(CC(CC(=O)NO)n2cc(CNC(=O)c1ccc(c(c1)F)F)nn2)cc3ncc4 |
InChI | InChI | 1.03 | InChI=1S/C23H20F2N6O3/c24-19-6-5-16(10-20(19)25)23(33)27-12-17-13-31(30-28-17)18(11-22(32)29-34)8-14-3-4-15-2-1-7-26-21(15)9-14/h1-7,9-10,13,18,34H,8,11-12H2,(H,27,33)(H,29,32)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | NEONSMDVMOADLB-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)C[C@@H](Cc1ccc2cccnc2c1)n3cc(CNC(=O)c4ccc(F)c(F)c4)nn3 |
SMILES | CACTVS | 3.385 | ONC(=O)C[CH](Cc1ccc2cccnc2c1)n3cc(CNC(=O)c4ccc(F)c(F)c4)nn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccc(cc2nc1)CC(CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F |