3-chloranyl-N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3-chloro-benzamide CAS Name: N-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-chlorobenzamide IUPAC Name: N-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-chlorobenzamide Traditional Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-3-chloro-benzamide Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C21H21ClFN3O3/c1-14(27)15-5-6-19(18(23)12-15)25-7-9-26(10-8-25)20(28)13-24-21(29)16-3-2-4-17(22)11-16/h2-6,11-12H,7-10,13H2,1H3,(H,24,29)