(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-methoxy-3-dibenzofuranyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C45C[C@H]6C[C@@H](C4)CC(C6)(C5)N7C=NC(=N7)Br

InChI

InChI=1S/C26H25BrN4O3/c1-33-22-7-18-17-4-2-3-5-20(17)34-21(18)8-19(22)29-23(32)25-9-15-6-16(10-25)12-26(11-15,13-25)31-14-28-24(27)30-31/h2-5,7-8,14-16H,6,9-13H2,1H3,(H,29,32)/t15-,16+,25?,26?