3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-iodanylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-iodanylphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-iodophenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-iodophenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-iodophenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-iodophenyl)adamantane-1-carboxamide Formula: C19H20BrIN4O MolecularWeight: 527.19677

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC=CC=C5I

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC=CC=C5I

InChI

InChI=1S/C19H20BrIN4O/c20-17-22-11-25(24-17)19-8-12-5-13(9-19)7-18(6-12,10-19)16(26)23-15-4-2-1-3-14(15)21/h1-4,11-13H,5-10H2,(H,23,26)