4-(4-ethanoylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(o-tolylmethyl)benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(2-methylphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-methylbenzyl)-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15-5-3-4-6-18(15)14-22-21(27)17-7-8-19(20(13-17)25(28)29)24-11-9-23(10-12-24)16(2)26/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)