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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-cyano-2-fluoro-benzamide Formula: C23H24ClFN4O2 MolecularWeight: 442.913663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(=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/c1-15(2)11-22(30)29-9-7-28(8-10-29)21-6-4-17(13-19(21)24)27-23(31)18-5-3-16(14-26)12-20(18)25/h3-6,12-13,15H,7-11H2,1-2H3,(H,27,31)