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

Systemtic Name: 2-(4-nitrophenyl)-4-[[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[2-(4-benzoyl-1-piperazin-1-iumyl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)ethylamino]methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C26H31N6O4+ MolecularWeight: 491.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=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/C26H30N6O4/c1-2-6-24-23(26(34)31(28-24)21-9-11-22(12-10-21)32(35)36)19-27-13-14-29-15-17-30(18-16-29)25(33)20-7-4-3-5-8-20/h3-5,7-12,19,27H,2,6,13-18H2,1H3/p+1