種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1 |
InChIKey | InChI | 1.06 | FZPBWXZGXXKTLK-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | C[C]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |