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N1R

概要
表記:2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
組成式:C20 H28 Cl2 N2 O3
電荷:0
化学式量:415.354 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.72-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]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
InChIInChI1.06InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)
InChIKeyInChI1.06DKMHFOFPXSXLSB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
SMILESCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C(=O)N1CCC(CC1)CCCNC(=O)CCl)Oc2ccc(cc2)Cl
SMILESOpenEye OEToolkits2.0.7CC(C)(C(=O)N1CCC(CC1)CCCNC(=O)CCl)Oc2ccc(cc2)Cl

223532

件を2024-08-07に公開中

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