H2X
概要
表記: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
組成式: | C19 H23 Br N2 O2 |
電荷: | 0 |
化学式量: | 391.302 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 | 2.0.7 | 4-bromanyl-2-[[2-[(~{E})-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
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/C19H23BrN2O2/c1-13(14-6-5-7-17(11-14)24-4)22-19(2,3)21-12-15-10-16(20)8-9-18(15)23/h5-11,21,23H,12H2,1-4H3/b22-13+ |
InChIKey | InChI | 1.03 | KYCOBMQFSPNZHT-LPYMAVHISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O |
SMILES | CACTVS | 3.385 | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NC(C)(C)NCc1cc(ccc1O)Br)c2cccc(c2)OC |