9K2
概要
| 表記: | 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
| 組成式: | C17 H18 F N3 |
| 電荷: | 0 |
| 化学式量: | 283.343 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C17H18FN3/c1-11-8-13(18)5-6-14(11)12-4-7-16-15(9-12)17(20-19-16)10-21(2)3/h4-9H,10H2,1-3H3,(H,19,20) |
| InChIKey | InChI | 1.03 | DBUAKDPVYBEAFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3C |
| SMILES | CACTVS | 3.385 | CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F |
