Z30
概要
表記: | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
組成式: | C12 H20 N4 O |
電荷: | 0 |
化学式量: | 236.313 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
OpenEye OEToolkits | 1.7.0 | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
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 | 12.01 | O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1 |
SMILES | CACTVS | 3.370 | CC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1 |
InChI | InChI | 1.03 | InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1 |
InChIKey | InChI | 1.03 | WPAHESSOUBKEIY-SSDOTTSWSA-N |