ethyl 4-[[2-(3-iodanylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(3-iodanylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-iodophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3-iodophenyl)-5-tetrazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-iodophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(3-iodophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19IN6O2 MolecularWeight: 442.25483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NN(N=N2)C3=CC(=CC=C3)I

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NN(N=N2)C3=CC(=CC=C3)I

InChI

InChI=1S/C15H19IN6O2/c1-2-24-15(23)21-8-6-20(7-9-21)11-14-17-19-22(18-14)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3