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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-2-fluoro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C22H23FN4O2/c1-2-3-21(28)27-12-10-26(11-13-27)18-7-5-17(6-8-18)25-22(29)19-9-4-16(15-24)14-20(19)23/h4-9,14H,2-3,10-13H2,1H3,(H,25,29)