N-[4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonylphenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonylphenyl]-2-methyl-propanamide Openeye Name: N-[4-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]phenyl]-2-methyl-propionamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C22H23FN4O2/c1-15(2)21(28)25-17-8-6-16(7-9-17)22(29)27-12-10-26(11-13-27)20-5-3-4-19(23)18(20)14-24/h3-9,15H,10-13H2,1-2H3,(H,25,28)