tert-butyl 4-[2-(1,2,3,4-tetrazol-1-ylmethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,2,3,4-tetrazol-1-ylmethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(tetrazol-1-ylmethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-(1-tetrazolylmethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(tetrazol-1-ylmethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tetrazol-1-ylmethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN3C=NN=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN3C=NN=N3

InChI

InChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)22-10-8-21(9-11-22)15-7-5-4-6-14(15)12-23-13-18-19-20-23/h4-7,13H,8-12H2,1-3H3