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2RN

概要
表記:3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
組成式:C20 H15 N3 O
電荷:0
化学式量:313.353 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
OpenEye OEToolkits1.7.63-(2-phenyl-4-pyridin-4-yl-1H-imidazol-5-yl)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
SMILESACDLabs12.01n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
InChIInChI1.03InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
InChIKeyInChI1.03KPDQHNUZQHJLSJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4
SMILESCACTVS3.385Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O

221051

件を2024-06-12に公開中

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