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

Systemtic Name: N-(4-acetamidophenyl)-3-(3-bromanyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(4-acetamidophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(4-acetamidophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-acetamidophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-acetamidophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C21H24BrN5O2/c1-13(28)24-16-2-4-17(5-3-16)25-18(29)20-7-14-6-15(8-20)10-21(9-14,11-20)27-12-23-19(22)26-27/h2-5,12,14-15H,6-11H2,1H3,(H,24,28)(H,25,29)