tert-butyl N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]carbamate CAS Name: N-[3-oxo-3-(3-oxo-1-piperazinyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]carbamate Traditional Name: N-[3-keto-3-(3-ketopiperazino)propyl]carbamic acid tert-butyl ester Formula: C12H21N3O4 MolecularWeight: 271.31284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCNC(=O)C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCNC(=O)C1

InChI

InChI=1S/C12H21N3O4/c1-12(2,3)19-11(18)14-5-4-10(17)15-7-6-13-9(16)8-15/h4-8H2,1-3H3,(H,13,16)(H,14,18)