tert-butyl 4-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-isocyano-2-pyridyl)benzimidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-(3-isocyano-2-pyridinyl)-2-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-isocyano-2-pyridyl)benzimidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)[N+]#[C-]

InChI

InChI=1S/C22H24N6O2/c1-22(2,3)30-21(29)27-14-12-26(13-15-27)20-25-16-8-5-6-10-18(16)28(20)19-17(23-4)9-7-11-24-19/h5-11H,12-15H2,1-3H3