N-(2,6-dimethylphenyl)-2-[4-(4-fluoranyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-fluoranyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-fluoro-3-nitro-benzoyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(4-fluoro-3-nitrophenyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-fluoro-3-nitrobenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-fluoro-3-nitro-benzoyl)piperazino]acetamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4/c1-14-4-3-5-15(2)20(14)23-19(27)13-24-8-10-25(11-9-24)21(28)16-6-7-17(22)18(12-16)26(29)30/h3-7,12H,8-11,13H2,1-2H3,(H,23,27)