tert-butyl 5-pyridin-3-yl-1,5-diazocane-1-carboxylate

Systemtic Name: tert-butyl 5-pyridin-3-yl-1,5-diazocane-1-carboxylate Openeye Name: tert-butyl 5-(3-pyridyl)-1,5-diazocane-1-carboxylate CAS Name: 5-(3-pyridinyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-pyridin-3-yl-1,5-diazocane-1-carboxylate Traditional Name: 5-(3-pyridyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CN=CC=C2

InChI

InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-5-9-18(10-6-12-19)14-7-4-8-17-13-14/h4,7-8,13H,5-6,9-12H2,1-3H3