2-(2-bromanyl-4-ethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-bromo-4-ethyl-phenoxy)ethanone CAS Name: 2-(2-bromo-4-ethylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2-bromo-4-ethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2-bromo-4-ethyl-phenoxy)ethanone Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O2/c1-2-17-8-9-20(19(22)14-17)26-16-21(25)24-12-10-23(11-13-24)15-18-6-4-3-5-7-18/h3-9,14H,2,10-13,15-16H2,1H3