3-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(4-acetylphenyl)-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(4-acetylphenyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H26N4O4/c1-16-20(4-3-5-21(16)26(29)30)23-22(28)10-11-24-12-14-25(15-13-24)19-8-6-18(7-9-19)17(2)27/h3-9H,10-15H2,1-2H3,(H,23,28)