4-[2-bromanyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[2-bromanyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperazin-2-one Openeye Name: 4-[2-bromo-5-(tetrazol-1-yl)benzoyl]piperazin-2-one CAS Name: 4-[[2-bromo-5-(1-tetrazolyl)phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2-bromo-5-(tetrazol-1-yl)benzoyl]piperazin-2-one Traditional Name: 4-[2-bromo-5-(tetrazol-1-yl)benzoyl]piperazin-2-one Formula: C12H11BrN6O2 MolecularWeight: 351.15874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=C(C=CC(=C2)N3C=NN=N3)Br

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=C(C=CC(=C2)N3C=NN=N3)Br

InChI

InChI=1S/C12H11BrN6O2/c13-10-2-1-8(19-7-15-16-17-19)5-9(10)12(21)18-4-3-14-11(20)6-18/h1-2,5,7H,3-4,6H2,(H,14,20)