N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzoylpiperazin-1-yl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-(4-benzoyl-1-piperazinyl)-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-(4-benzoylpiperazino)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15-8-9-18(25(28)29)14-19(15)22-20(26)16(2)23-10-12-24(13-11-23)21(27)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,22,26)