N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazino]propionamide Formula: C20H23BrN4O3 MolecularWeight: 447.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23BrN4O3/c1-14-13-16(21)3-8-19(14)22-20(26)15(2)23-9-11-24(12-10-23)17-4-6-18(7-5-17)25(27)28/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)