(4E)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4E)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H23N6O3+ MolecularWeight: 407.44572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3/c1-24-11-13-25(14-12-24)22-15-19-20(16-5-3-2-4-6-16)23-26(21(19)28)17-7-9-18(10-8-17)27(29)30/h2-10,15,22H,11-14H2,1H3/p+1/b19-15+