2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)ethanone CAS Name: 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)ethanone Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O3/c26-25-20(24(21(29)16-22(25)30)19-9-5-2-6-10-19)15-23(31)28-13-11-27(12-14-28)17-18-7-3-1-4-8-18/h1-10,16,29-30H,11-15,17H2