2-[4-[2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)acetyl]piperazino]nicotinonitrile Formula: C24H21BrN4O3 MolecularWeight: 493.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN4O3/c25-23-18(22(19(30)14-20(23)31)16-5-2-1-3-6-16)13-21(32)28-9-11-29(12-10-28)24-17(15-26)7-4-8-27-24/h1-8,14,30-31H,9-13H2