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

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

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