tert-butyl 4-(3-cyano-6-pyridin-2-yl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyano-6-pyridin-2-yl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyano-6-(2-pyridyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-cyano-6-(2-pyridinyl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-6-pyridin-2-ylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-[3-cyano-6-(2-pyridyl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=N3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C20H23N5O2/c1-20(2,3)27-19(26)25-12-10-24(11-13-25)18-15(14-21)7-8-17(23-18)16-6-4-5-9-22-16/h4-9H,10-13H2,1-3H3