2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-dibromo-6-methyl-phenoxy)ethanone CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-dibromo-6-methylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2,4-dibromo-6-methyl-phenoxy)ethanone Formula: C20H22Br2N2O2 MolecularWeight: 482.20888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C20H22Br2N2O2/c1-15-11-17(21)12-18(22)20(15)26-14-19(25)24-9-7-23(8-10-24)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3