2,4-bis(bromanyl)-6-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol

Systemtic Name: 2,4-bis(bromanyl)-6-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol Openeye Name: 2,4-dibromo-6-[diethoxyphosphoryl-[4-(2-pyridyl)piperazin-1-yl]methyl]phenol CAS Name: 2,4-dibromo-6-[diethoxyphosphoryl-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenol IUPAC Name: 2,4-dibromo-6-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol Traditional Name: 2,4-dibromo-6-[diethoxyphosphoryl-[4-(2-pyridyl)piperazino]methyl]phenol Formula: C20H26Br2N3O4P MolecularWeight: 563.219901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=CC(=C1O)Br)Br)N2CCN(CC2)C3=CC=CC=N3)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=CC(=C1O)Br)Br)N2CCN(CC2)C3=CC=CC=N3)OCC

InChI

InChI=1S/C20H26Br2N3O4P/c1-3-28-30(27,29-4-2)20(16-13-15(21)14-17(22)19(16)26)25-11-9-24(10-12-25)18-7-5-6-8-23-18/h5-8,13-14,20,26H,3-4,9-12H2,1-2H3