N-[1-(4-bromophenyl)propyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-(4-bromophenyl)propyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(4-bromophenyl)propyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[1-(4-bromophenyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(4-bromophenyl)propyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[1-(4-bromophenyl)propyl]-3-nitro-benzamide Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25BrN4O4/c1-3-19(16-4-7-18(23)8-5-16)24-22(29)17-6-9-20(21(14-17)27(30)31)26-12-10-25(11-13-26)15(2)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,24,29)