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

Systemtic Name: tert-butyl 4-[[(5-pyridin-4-ylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[5-(4-pyridyl)-3-pyridyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(5-pyridin-4-yl-3-pyridinyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(5-pyridin-4-ylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[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)N1CCC(CC1)CNC2=CN=CC(=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=CN=CC(=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)25-10-6-16(7-11-25)13-24-19-12-18(14-23-15-19)17-4-8-22-9-5-17/h4-5,8-9,12,14-16,24H,6-7,10-11,13H2,1-3H3