tert-butyl 4-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(5-cyano-2-pyridyl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(5-cyano-2-pyridyl)-4-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H30N4O2/c1-21(2,3)27-20(26)25-12-8-18(9-13-25)17-6-10-24(11-7-17)19-5-4-16(14-22)15-23-19/h4-5,15,17-18H,6-13H2,1-3H3