4-(4-ethanoylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(5-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(5-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(5-methyl-2-pyridyl)-3-nitro-benzamide Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-13-3-6-18(20-12-13)21-19(26)15-4-5-16(17(11-15)24(27)28)23-9-7-22(8-10-23)14(2)25/h3-6,11-12H,7-10H2,1-2H3,(H,20,21,26)