N-(2-bromanyl-4-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C20H21BrN4O4 MolecularWeight: 461.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrN4O4/c1-14(26)15-2-4-16(5-3-15)24-10-8-23(9-11-24)13-20(27)22-19-7-6-17(25(28)29)12-18(19)21/h2-7,12H,8-11,13H2,1H3,(H,22,27)