3-cyano-N-[[4-fluoranyl-3-[4-fluoranyl-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-cyano-N-[[4-fluoranyl-3-[4-fluoranyl-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 3-cyano-N-[[4-fluoro-3-[4-fluoro-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 3-cyano-N-[[4-fluoro-3-[4-fluoro-3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 3-cyano-N-[[4-fluoro-3-[4-fluoro-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 3-cyano-N-[4-fluoro-3-[4-fluoro-3-(piperazinomethyl)phenyl]benzyl]benzamide Formula: C26H24F2N4O MolecularWeight: 446.491766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC=CC(=C4)C#N)F)F

Isomeric SMILES

C1CN(CCN1)CC2=C(C=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC=CC(=C4)C#N)F)F

InChI

InChI=1S/C26H24F2N4O/c27-24-7-5-20(14-22(24)17-32-10-8-30-9-11-32)23-13-19(4-6-25(23)28)16-31-26(33)21-3-1-2-18(12-21)15-29/h1-7,12-14,30H,8-11,16-17H2,(H,31,33)