W3X
概要
表記: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide |
組成式: | C14 H16 N2 O2 |
電荷: | 0 |
化学式量: | 244.289 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 | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide |
OpenEye OEToolkits | 2.0.7 | 1-[2-(4-hydroxyphenyl)ethyl]-4~{H}-pyridine-3-carboxamide |
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 | NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1 |
InChI | InChI | 1.06 | InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18) |
InChIKey | InChI | 1.06 | ACNLRZRWSZGYOV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1 |
SMILES | CACTVS | 3.385 | NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O |