2-[4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-hydroxy-3,5-diiodo-benzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-hydroxy-3,5-diiodo-benzoyl)piperazino]isonicotinonitrile Formula: C17H14I2N4O2 MolecularWeight: 560.1276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC(=C3O)I)I

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC(=C3O)I)I

InChI

InChI=1S/C17H14I2N4O2/c18-12-8-13(16(24)14(19)9-12)17(25)23-5-3-22(4-6-23)15-7-11(10-20)1-2-21-15/h1-2,7-9,24H,3-6H2