5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethylamino]methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethylamino]methylidene]pyrazol-3-one Openeye Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[[2-(4-benzoyl-1-piperazin-1-iumyl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C24H27N6O4+ MolecularWeight: 463.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O4/c1-18-22(24(32)29(26-18)20-7-9-21(10-8-20)30(33)34)17-25-11-12-27-13-15-28(16-14-27)23(31)19-5-3-2-4-6-19/h2-10,17,25H,11-16H2,1H3/p+1