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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[4-(2-cyano-3-fluoro-phenyl)piperazino]acetamide Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C(=CC=C3)F)C#N)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C(=CC=C3)F)C#N)Cl

InChI

InChI=1S/C21H21ClFN5O2/c1-14(29)25-19-6-5-15(11-17(19)22)26-21(30)13-27-7-9-28(10-8-27)20-4-2-3-18(23)16(20)12-24/h2-6,11H,7-10,13H2,1H3,(H,25,29)(H,26,30)