2-(5-bromanyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-bromanyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(5-bromobenzofuran-3-yl)ethanone CAS Name: 2-(5-bromo-3-benzofuranyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(5-bromobenzofuran-3-yl)ethanone Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=COC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=COC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O2/c22-18-6-7-20-19(13-18)17(15-26-20)12-21(25)24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,13,15H,8-12,14H2