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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-14-4-3-5-17(12-14)21-20(26)16-6-7-18(19(13-16)24(27)28)23-10-8-22(9-11-23)15(2)25/h3-7,12-13H,8-11H2,1-2H3,(H,21,26)