tert-butyl 3-[[(5-pyridin-4-ylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(5-pyridin-4-ylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[[5-(4-pyridyl)-3-pyridyl]amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[(5-pyridin-4-yl-3-pyridinyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(5-pyridin-4-ylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[5-(4-pyridyl)-3-pyridyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=CN=CC(=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=CN=CC(=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)25-10-4-5-16(15-25)12-24-19-11-18(13-23-14-19)17-6-8-22-9-7-17/h6-9,11,13-14,16,24H,4-5,10,12,15H2,1-3H3