2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-(4-acetyl-2-nitrophenyl)-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-nitrophenyl)piperazin-1-yl]-N-benzylacetamide Traditional Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazino]-N-benzyl-acetamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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