tert-butyl 4-(2-oxidanylidenepropyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-oxidanylidenepropyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-acetonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(2-oxopropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-oxopropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-acetonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C13H24N2O3 MolecularWeight: 256.34126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CCCN(CC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CN1CCCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H24N2O3/c1-11(16)10-14-6-5-7-15(9-8-14)12(17)18-13(2,3)4/h5-10H2,1-4H3