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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C23H24ClFN4O2 MolecularWeight: 442.913663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClFN4O2/c1-23(2,3)22(31)29-10-8-28(9-11-29)20-7-5-16(13-18(20)24)27-21(30)17-6-4-15(14-26)12-19(17)25/h4-7,12-13H,8-11H2,1-3H3,(H,27,30)