3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[(2-ethoxyphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[(2-ethoxyphenyl)methyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[(2-ethoxyphenyl)methyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[(2-ethoxyphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[(2-ethoxyphenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-ethoxybenzyl)adamantane-1-carboxamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C22H27BrN4O2/c1-2-29-18-6-4-3-5-17(18)12-24-19(28)21-8-15-7-16(9-21)11-22(10-15,13-21)27-14-25-20(23)26-27/h3-6,14-16H,2,7-13H2,1H3,(H,24,28)