Chemical Component Summary |
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Name | ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate |
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Identifiers | ethyl (5~{S})-3-[3,4-bis(fluoranyl)phenyl]carbonyl-1,1-dimethyl-2,4,5,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
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Formula | C24 H24 F2 N2 O3 |
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Molecular Weight | 426.456 |
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Type | NON-POLYMER |
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Isomeric SMILES | CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F |
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InChI | InChI=1S/C24H24F2N2O3/c1-4-31-23(30)16-12-28(22(29)14-9-10-17(25)18(26)11-14)13-24(2,3)20-15-7-5-6-8-19(15)27-21(16)20/h5-11,16,27H,4,12-13H2,1-3H3/t16-/m0/s1 |
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InChIKey | CTKZFOFWQDITSZ-INIZCTEOSA-N |
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