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

Systemtic Name: 4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: 4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: 4-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]ethylamino]methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: 4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: 4-[[2-(4-isobutyrylpiperazin-1-ium-1-yl)ethylamino]methylene]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C26H31N6O4+ MolecularWeight: 491.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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