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

Systemtic Name: 2-[2-bromanyl-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C28H32BrN3O5 MolecularWeight: 570.47478

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CN=CC=C4)Br)OCOC

Isomeric SMILES

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CN=CC=C4)Br)OCOC

InChI

InChI=1S/C28H32BrN3O5/c1-34-19-36-24-16-25(37-20-35-2)28(29)23(27(24)22-8-4-3-5-9-22)15-26(33)32-13-11-31(12-14-32)18-21-7-6-10-30-17-21/h3-10,16-17H,11-15,18-20H2,1-2H3