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

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C20H28ClFN4O MolecularWeight: 394.913923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H28ClFN4O/c1-14(2)20(4,13-23)24-19(27)15(3)26-9-7-25(8-10-26)12-16-5-6-17(22)11-18(16)21/h5-6,11,14-15H,7-10,12H2,1-4H3,(H,24,27)