tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-cyano-2-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-4-7-19(9-10-20)14-6-5-13(11-17)12-18-14/h5-6,12H,4,7-10H2,1-3H3