tert-butyl (NE)-N-[azanyl-[methyl-(2-oxidanylidene-2-piperazin-1-yl-ethyl)amino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[azanyl-[methyl-(2-oxidanylidene-2-piperazin-1-yl-ethyl)amino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[amino-[methyl-(2-oxo-2-piperazin-1-yl-ethyl)amino]methylene]carbamate CAS Name: (NE)-N-[amino-[methyl-[2-oxo-2-(1-piperazinyl)ethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[amino-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(2-keto-2-piperazino-ethyl)-methyl-amino]methylene]carbamic acid tert-butyl ester Formula: C13H25N5O3 MolecularWeight: 299.3693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(N)N(C)CC(=O)N1CCNCC1

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(\N)/N(C)CC(=O)N1CCNCC1

InChI

InChI=1S/C13H25N5O3/c1-13(2,3)21-12(20)16-11(14)17(4)9-10(19)18-7-5-15-6-8-18/h15H,5-9H2,1-4H3,(H2,14,16,20)