種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NCc1occc1)c3cc(C(=O)c2ccccc2C)cn3 |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3 |
SMILES | CACTVS | 3.370 | Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3 |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-10,19H,11H2,1H3,(H,20,22) |
InChIKey | InChI | 1.03 | UTEGJWUIPAWNBB-UHFFFAOYSA-N |