N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(5-bromo-2-fluoro-phenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(5-bromo-2-fluorophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(5-bromo-2-fluorophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(5-bromo-2-fluoro-benzyl)-3-nitro-benzamide Formula: C20H20BrFN4O4 MolecularWeight: 479.299603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrFN4O4/c1-13(27)24-6-8-25(9-7-24)18-5-2-14(11-19(18)26(29)30)20(28)23-12-15-10-16(21)3-4-17(15)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,28)