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Y2M

概要
表記:N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
組成式:C15 H21 N3 O3
電荷:0
化学式量:291.346 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-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-(cyclopropylmethyl)-4-(5-methylfuran-2-yl)carbonyl-piperazine-1-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
SMILESACDLabs12.01N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3
InChIInChI1.03InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)
InChIKeyInChI1.03ZXYKAGVWWGHBFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILESCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILESOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3

223790

件を2024-08-14に公開中

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