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SQ-NHSCAS号 : 154161-81-6 Compound CID : 5095317分子式: C34H32ClN3O6 分子量: 614.09IUPAC Name: 4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olateSMILES: CCN1C2=C(C=C(C=C2)C(=O)ON3C(=O)CCC3=O)C(C1=CC4=C(C(=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)Cl)C)C4=O)[O-])(C)CInChIKey: RRLJXAKQFSXTLC-UHFFFAOYSA-NInChI: InChI=1S/C34H32ClN3O6/c1-7-37-25-10-8-18(32(43)44-38-28(39)12-13-29(38)40)14-22(25)34(4,5)27(37)17-21-30(41)20(31(21)42)16-26-33(2,3)23-15-19(35)9-11-24(23)36(26)6/h8-11,14-17H,7,12-13H2,1-6H3
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5-乙酰基-3-氯-10,11-二氢二苯并[b,f]氮杂卓CAS号 : 25961-11-9 Compound CID : 117681分子式: C16H14ClNO 分子量: 271.74IUPAC Name: 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanoneSMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)ClInChIKey: NMZOSOMVILZBJL-UHFFFAOYSA-NInChI: InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
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2-乙酰氨基丙酸甲酯CAS号 : 26629-33-4 Compound CID : 520278分子式: C6H11NO3 分子量: 145.16IUPAC Name: methyl 2-acetamidopropanoateSMILES: CC(C(=O)OC)NC(=O)CInChIKey: FQGVVDYNRHNTCK-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)
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N,N-二苄基甘氨酸乙酯CAS号 : 77385-90-1 Compound CID : 3553452分子式: C18H21NO2 分子量: 283.37IUPAC Name: ethyl 2-(dibenzylamino)acetateSMILES: CCOC(=O)CN(CC1=CC=CC=C1)CC2=CC=CC=C2InChIKey: AFMDCFOWHWNQBP-UHFFFAOYSA-NInChI: InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
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N-(2,2,2-三氯乙氧基羰基氧基)琥珀酰亚胺CAS号 : 66065-85-8 Compound CID : 4192178分子式: C7H6Cl3NO5 分子量: 290.48IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonateSMILES: C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)ClInChIKey: WBZXNGAFYBGQFE-UHFFFAOYSA-NInChI: InChI=1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2
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更昔洛韦-d5CAS号 : 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-Boc-哌嗪-d8CAS号 : 1126621-86-0分子式: C9H10D8N2O2 分子量: 194.30IUPAC Name: tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCNCC1InChIKey: CWXPZXBSDSIRCS-DUSUNJSHSA-NInChI: InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
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N-去甲基氯氮平-d8CAS号 : 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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哌嗪-2,2,3,3,5,5,6,6-d8二盐酸盐一水合物CAS号 : 314062-45-8分子式: C4H6D8Cl2N2O 分子量: 185.12IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochlorideSMILES: C1CNCCN1.Cl.ClInChIKey: CVVIJWRCGSYCMB-VHGLFXLXSA-NInChI: InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;
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异戊酸-d9CAS号 : 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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