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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 3-(4-benzoylpiperazin-1-yl)-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-(4-benzoyl-1-piperazinyl)-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-(4-benzoylpiperazino)-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-16-15-18(25(28)29)7-8-19(16)22-20(26)9-10-23-11-13-24(14-12-23)21(27)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,26)