N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H21ClN4O2/c1-15(27)16-3-6-19(7-4-16)26-10-8-25(9-11-26)14-21(28)24-20-12-18(22)5-2-17(20)13-23/h2-7,12H,8-11,14H2,1H3,(H,24,28)