tert-butyl 4-(5-ethynylpyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-ethynylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-ethynyl-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-ethynyl-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-ethynylpyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-ethynyl-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C#C

InChI

InChI=1S/C17H23N3O2/c1-5-14-11-15(13-18-12-14)19-7-6-8-20(10-9-19)16(21)22-17(2,3)4/h1,11-13H,6-10H2,2-4H3