種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O |
InChI | InChI | 1.03 | InChI=1S/C27H18ClFN4O4/c28-19-8-17(9-22(11-19)37-15-16-3-1-4-20(29)7-16)23-10-18(24-13-31-27(36)32-25(24)34)14-33(26(23)35)21-5-2-6-30-12-21/h1-14H,15H2,(H2,31,32,34,36) |
InChIKey | InChI | 1.03 | DGQRJEVFDWWDCX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)c1 |
SMILES | CACTVS | 3.385 | Fc1cccc(COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |