tert-butyl N-[6-(1,2,2-tripyridin-3-ylethyl)pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-(1,2,2-tripyridin-3-ylethyl)pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[6-[1,2,2-tris(3-pyridyl)ethyl]-2-pyridyl]carbamate CAS Name: N-[6-[1,2,2-tris(3-pyridinyl)ethyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(1,2,2-tripyridin-3-ylethyl)pyridin-2-yl]carbamate Traditional Name: N-[6-[1,2,2-tris(3-pyridyl)ethyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=N1)C(C2=CN=CC=C2)C(C3=CN=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=N1)C(C2=CN=CC=C2)C(C3=CN=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C27H27N5O2/c1-27(2,3)34-26(33)32-23-12-4-11-22(31-23)25(21-10-7-15-30-18-21)24(19-8-5-13-28-16-19)20-9-6-14-29-17-20/h4-18,24-25H,1-3H3,(H,31,32,33)