N-[2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]ethyl]-4-fluoro-benzamide Formula: C22H25FN4O6 MolecularWeight: 460.455503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25FN4O6/c1-32-19-13-17(18(27(30)31)14-20(19)33-2)22(29)26-11-9-25(10-12-26)8-7-24-21(28)15-3-5-16(23)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,24,28)