種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N)c1ccccc1c4cc3Nc2c(cccc2)NC(=O)c3cc4 |
InChI | InChI | 1.03 | InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25) |
InChIKey | InChI | 1.03 | XLSKYJYTEGNOBA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccccc1c2ccc3C(=O)Nc4ccccc4Nc3c2 |
SMILES | CACTVS | 3.370 | NC(=O)c1ccccc1c2ccc3C(=O)Nc4ccccc4Nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N |