2,4,5-tris(chloranyl)-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2,4,5-tris(chloranyl)-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzoylpiperazin-1-yl)-2,4,5-trichloro-pyridine-3-carbonitrile CAS Name: 6-(4-benzoyl-1-piperazinyl)-2,4,5-trichloro-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzoylpiperazin-1-yl)-2,4,5-trichloropyridine-3-carbonitrile Traditional Name: 6-(4-benzoylpiperazino)-2,4,5-trichloro-nicotinonitrile Formula: C17H13Cl3N4O MolecularWeight: 395.67032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13Cl3N4O/c18-13-12(10-21)15(20)22-16(14(13)19)23-6-8-24(9-7-23)17(25)11-4-2-1-3-5-11/h1-5H,6-9H2