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IUO

概要
表記:(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
組成式:C17 H15 Cl F N3 O3
電荷:0
化学式量:363.771 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.7(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.06InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
InChIKeyInChI1.06LSPJXCGEFJDMHA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F
SMILESCACTVS3.385[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)F

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件を2024-07-24に公開中

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