2-bromanyl-1-[2-tert-butyl-4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-bromanyl-1-[2-tert-butyl-4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzyl-2-tert-butyl-piperazin-1-yl)-2-bromo-ethanone CAS Name: 2-bromo-1-[2-tert-butyl-4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzyl-2-tert-butylpiperazin-1-yl)-2-bromoethanone Traditional Name: 1-(4-benzyl-2-tert-butyl-piperazino)-2-bromo-ethanone Formula: C17H25BrN2O MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CBr)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CBr)CC2=CC=CC=C2

InChI

InChI=1S/C17H25BrN2O/c1-17(2,3)15-13-19(9-10-20(15)16(21)11-18)12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3