tert-butyl N-[3-[4-[3-(4-bromanylphenoxy)propyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[3-(4-bromanylphenoxy)propyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[3-(4-bromophenoxy)propyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[3-(4-bromophenoxy)propyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[3-(4-bromophenoxy)propyl]piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-[3-(4-bromophenoxy)propyl]piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H32BrN3O4 MolecularWeight: 470.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H32BrN3O4/c1-21(2,3)29-20(27)23-10-9-19(26)25-14-12-24(13-15-25)11-4-16-28-18-7-5-17(22)6-8-18/h5-8H,4,9-16H2,1-3H3,(H,23,27)