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

Systemtic Name: 4-cyano-2-fluoranyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O2/c1-16(2)13-22(29)28-11-9-27(10-12-28)19-6-4-18(5-7-19)26-23(30)20-8-3-17(15-25)14-21(20)24/h3-8,14,16H,9-13H2,1-2H3,(H,26,30)