N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-fluorobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-fluoro-benzamide Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H23ClFN3O2/c1-2-5-20(27)26-12-10-25(11-13-26)19-9-8-15(14-17(19)22)24-21(28)16-6-3-4-7-18(16)23/h3-4,6-9,14H,2,5,10-13H2,1H3,(H,24,28)