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

Systemtic Name: tert-butyl 4-[5-fluoranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-fluoro-2-(1-tetrazolyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21FN6O3 MolecularWeight: 376.385443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN6O3/c1-17(2,3)27-16(26)23-8-6-22(7-9-23)15(25)13-10-12(18)4-5-14(13)24-11-19-20-21-24/h4-5,10-11H,6-9H2,1-3H3