N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN4O2/c1-2-20(28)27-9-7-26(8-10-27)19-6-4-15(22)12-18(19)25-21(29)16-5-3-14(13-24)11-17(16)23/h3-6,11-12H,2,7-10H2,1H3,(H,25,29)