2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-N-heptan-2-yl-ethanamide

Systemtic Name: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(1-methylhexyl)acetamide CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]-N-heptan-2-ylacetamide IUPAC Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(1-methylhexyl)acetamide Formula: C16H22BrN5O MolecularWeight: 380.28278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCC(C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrN5O/c1-3-4-5-6-12(2)18-15(23)11-22-20-16(19-21-22)13-7-9-14(17)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,18,23)