tert-butyl 4-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(5-nitro-2-pyridyl)benzimidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-(5-nitro-2-pyridinyl)-2-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(5-nitro-2-pyridyl)benzimidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c1-21(2,3)31-20(28)25-12-10-24(11-13-25)19-23-16-6-4-5-7-17(16)26(19)18-9-8-15(14-22-18)27(29)30/h4-9,14H,10-13H2,1-3H3