1BA
概要
| 表記: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE |
| 組成式: | C17 H20 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 284.353 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-hydroxy-N'-[4-(1-methylethyl)benzyl]benzohydrazide |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxy-N'-[(4-propan-2-ylphenyl)methyl]benzohydrazide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc(O)cc1)NNCc2ccc(cc2)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | MFDXHRPPSJRQFX-UHFFFAOYSA-N |
