種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)cncc2NC(=O)C12CC(C1)Oc1ccc(Cl)cc12 |
InChI | InChI | 1.06 | InChI=1S/C20H14ClFN2O2/c21-12-1-4-18-16(6-12)20(7-14(8-20)26-18)19(25)24-17-10-23-9-11-5-13(22)2-3-15(11)17/h1-6,9-10,14H,7-8H2,(H,24,25)/t14-,20- |
InChIKey | InChI | 1.06 | HANIMTZEYQYKPD-OYOVHJISSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2c(NC(=O)C34CC(C3)Oc5ccc(Cl)cc45)cncc2c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2c(NC(=O)C34CC(C3)Oc5ccc(Cl)cc45)cncc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)cncc2NC(=O)C34CC(C3)Oc5c4cc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)cncc2NC(=O)C34CC(C3)Oc5c4cc(cc5)Cl |