tert-butyl 4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2H-tetrazol-5-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(2H-tetrazol-5-yl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2H-tetrazol-5-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2H-tetrazol-5-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NNN=N3

InChI

InChI=1S/C17H22N6O3/c1-17(2,3)26-16(25)23-10-8-22(9-11-23)15(24)13-6-4-12(5-7-13)14-18-20-21-19-14/h4-7H,8-11H2,1-3H3,(H,18,19,20,21)