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

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O2/c1-14(2)22(30)28-9-7-27(8-10-28)20-6-4-16(23)12-19(20)26-21(29)17-5-3-15(13-25)11-18(17)24/h3-6,11-12,14H,7-10H2,1-2H3,(H,26,29)