種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O |
InChI | InChI | 1.03 | InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24) |
InChIKey | InChI | 1.03 | SIKMVWPMDNIKAY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4 |