種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C4C(C)Nc3c(cccc3c1cccc(c1)OCc2ccccc2)NC4=O |
InChI | InChI | 1.03 | InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | XKIQUMIGIBMUJB-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(OCc4ccccc4)c3 |
SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2cccc(c2N1)c3cccc(OCc4ccccc4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4 |