tert-butyl N-[1-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[1-(3-isocyano-2-pyridyl)benzimidazol-2-yl]-4-piperidyl]carbamate CAS Name: N-[1-[1-(3-isocyano-2-pyridinyl)-2-benzimidazolyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-(3-isocyanopyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate Traditional Name: N-[1-[1-(3-isocyano-2-pyridyl)benzimidazol-2-yl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)[N+]#[C-]

InChI

InChI=1S/C23H26N6O2/c1-23(2,3)31-22(30)26-16-11-14-28(15-12-16)21-27-17-8-5-6-10-19(17)29(21)20-18(24-4)9-7-13-25-20/h5-10,13,16H,11-12,14-15H2,1-3H3,(H,26,30)