4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-benzyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-benzyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-benzyl-3-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-15(25)22-9-11-23(12-10-22)18-8-7-17(13-19(18)24(27)28)20(26)21-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,26)