N-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-benzamide

Systemtic Name: N-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-benzamide Openeye Name: N-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-2-methyl-benzamide CAS Name: N-[2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-2-methylbenzamide IUPAC Name: N-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide Traditional Name: N-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-keto-ethyl]-2-methyl-benzamide Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

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