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

Systemtic Name: 4-cyano-2-fluoranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-2-fluoro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C25H23FN4O MolecularWeight: 414.474723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H23FN4O/c26-24-16-20(17-27)6-11-23(24)25(31)28-21-7-9-22(10-8-21)30-14-12-29(13-15-30)18-19-4-2-1-3-5-19/h1-11,16H,12-15,18H2,(H,28,31)