種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O |
InChI | InChI | 1.06 | InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1 |
InChIKey | InChI | 1.06 | PMXAOPMAOYNZJP-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F |