2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C19H24ClFN4O2 MolecularWeight: 394.870863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C19H24ClFN4O2/c1-13(2)19(3,12-22)23-17(26)11-24-6-8-25(9-7-24)18(27)15-10-14(20)4-5-16(15)21/h4-5,10,13H,6-9,11H2,1-3H3,(H,23,26)