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MJP

概要
表記:2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide
組成式:C17 H14 N4 O2
電荷:0
化学式量:306.319 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01N-{4-[(3-cyano-1H-indol-5-yl)oxy]phenyl}glycinamide
OpenEye OEToolkits1.7.62-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(Nc3ccc(Oc1cc2c(cc1)ncc2C#N)cc3)CN
InChIInChI1.03InChI=1S/C17H14N4O2/c18-8-11-10-20-16-6-5-14(7-15(11)16)23-13-3-1-12(2-4-13)21-17(22)9-19/h1-7,10,20H,9,19H2,(H,21,22)
InChIKeyInChI1.03FTYQKBVNGALNLT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCC(=O)Nc1ccc(Oc2ccc3[nH]cc(C#N)c3c2)cc1
SMILESCACTVS3.385NCC(=O)Nc1ccc(Oc2ccc3[nH]cc(C#N)c3c2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N

224931

件を2024-09-11に公開中

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