tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[1-(5-nitro-2-pyridyl)benzimidazol-2-yl]-4-piperidyl]carbamate CAS Name: N-[1-[1-(5-nitro-2-pyridinyl)-2-benzimidazolyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate Traditional Name: N-[1-[1-(5-nitro-2-pyridyl)benzimidazol-2-yl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c1-22(2,3)32-21(29)24-15-10-12-26(13-11-15)20-25-17-6-4-5-7-18(17)27(20)19-9-8-16(14-23-19)28(30)31/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)