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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-4-cyano-2-fluoro-benzamide Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O2/c1-2-3-21(29)28-10-8-27(9-11-28)20-7-5-16(13-18(20)23)26-22(30)17-6-4-15(14-25)12-19(17)24/h4-7,12-13H,2-3,8-11H2,1H3,(H,26,30)