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

Systemtic Name: 2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C24H24BrN3O3 MolecularWeight: 482.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O3/c25-24-19(23(20(29)14-21(24)30)18-6-2-1-3-7-18)13-22(31)28-11-9-27(10-12-28)16-17-5-4-8-26-15-17/h1-8,14-15,29-30H,9-13,16H2