tert-butyl 4-pyridin-2-yl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-pyridin-2-yl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-pyridin-2-yl-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H23N3O2 MolecularWeight: 277.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-6-9-17(11-12-18)13-7-4-5-8-16-13/h4-5,7-8H,6,9-12H2,1-3H3