N-bromanyl-2-(4-ethylphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]ethanamine

Systemtic Name: N-bromanyl-2-(4-ethylphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]ethanamine Openeye Name: 2-(3-benzylpiperazin-1-yl)-N-bromo-2-(4-ethylphenyl)ethanamine CAS Name: N-bromo-2-(4-ethylphenyl)-2-[3-(phenylmethyl)-1-piperazinyl]ethanamine IUPAC Name: 2-(3-benzylpiperazin-1-yl)-N-bromo-2-(4-ethylphenyl)ethanamine Traditional Name: [2-(3-benzylpiperazino)-2-(4-ethylphenyl)ethyl]-bromo-amine Formula: C21H28BrN3 MolecularWeight: 402.37112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNBr)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNBr)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28BrN3/c1-2-17-8-10-19(11-9-17)21(15-24-22)25-13-12-23-20(16-25)14-18-6-4-3-5-7-18/h3-11,20-21,23-24H,2,12-16H2,1H3