tert-butyl 4-[4-(3-bromanylpropoxy)phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-bromanylpropoxy)phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-bromopropoxy)phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-(3-bromopropoxy)phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-bromopropoxy)phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-(3-bromopropoxy)phenyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCBr

InChI

InChI=1S/C18H25BrN2O4/c1-18(2,3)25-17(23)20-10-11-21(16(22)13-20)14-5-7-15(8-6-14)24-12-4-9-19/h5-8H,4,9-13H2,1-3H3