種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32 |
InChI | InChI | 1.06 | InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3 |
InChIKey | InChI | 1.06 | DXWHZJXKTHGHQF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23 |
SMILES | CACTVS | 3.385 | CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC |