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

Systemtic Name: tert-butyl 4-[3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-phenyl-2-(1-tetrazolyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C19H26N6O3/c1-19(2,3)28-18(27)24-11-9-23(10-12-24)17(26)16(25-14-20-21-22-25)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3