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CAS No.	英文名/中文名/SMILES	分子式	分子量
129385-59-7	trans-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one CN1CC2C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24	C₁₇H₁₄ClNO₂	299.7
136304-78-4	Methyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate Methyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate COC(=O)C1=C(C(=CC=C1)N)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N	C₂₂H₁₉N₃O₂	357.4
139481-44-0	Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate 1-[(2'-氰基联苯-4-基)甲基]-2-乙氧基-1H-苯并咪唑-7-甲酸甲酯 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC	C₂₅H₂₁N₃O₃	411.5
42288-26-6	n-(4-Cyanophenyl)glycine N-4-苯腈甘氨酸 C1=CC(=CC=C1C#N)NCC(=O)O	C₉H₈N₂O₂	176.17
212322-56-0	ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-Alanine, ethyl ester CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)NC)N	C₁₈H₂₂N₄O₃	342.4
211915-06-9	Dabigatran Etexilate 达比加群酯 CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4	C₃₄H₄₁N₇O₅	627.7
302964-24-5	2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide 2-氨基-N-(2-氯-6-甲基苯基)噻唑-5-甲酰胺 CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)N	C₁₁H₁₀ClN₃OS	267.74
675126-26-8	4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile 2-氨基-4-甲氧基-5-(3-吗啉丙氧基)苯甲腈 COC1=C(C=C(C(=C1)[N+](=O)[O-])C#N)OCCCN2CCOCC2	C₁₅H₁₉N₃O₅	321.33
35202-54-1	4,5-Dimethoxy-1-cyanobenzocyclobutane 4,5-二甲氧基-1-氰基苯并环丁烷 COC1=C(C=C2C(CC2=C1)C#N)OC	C₁₁H₁₁NO₂	189.21
866783-13-3	(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride (1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐 CNCC1CC2=CC(=C(C=C12)OC)OC.Cl	C₁₂H₁₈ClNO₂	243.73