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

Systemtic Name: 2-[4-[2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)acetyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-oxoethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)acetyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)acetyl]piperazino]benzonitrile Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O3/c26-25-19(24(21(30)15-22(25)31)17-6-2-1-3-7-17)14-23(32)29-12-10-28(11-13-29)20-9-5-4-8-18(20)16-27/h1-9,15,30-31H,10-14H2