4-cyano-2-fluoranyl-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-cyano-2-fluoranyl-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[4-(4-benzoylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C25H21FN4O2 MolecularWeight: 428.458243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21FN4O2/c26-23-16-18(17-27)6-11-22(23)24(31)28-20-7-9-21(10-8-20)29-12-14-30(15-13-29)25(32)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,28,31)