2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-phenyl-4-[[2-(1-piperazine-1,4-diiumyl)ethylamino]methylidene]-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylene]-2-pyrazolin-3-one Formula: C22H26N6O3+2 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3/c29-22-20(16-24-12-15-26-13-10-23-11-14-26)21(17-4-2-1-3-5-17)25-27(22)18-6-8-19(9-7-18)28(30)31/h1-9,16,23-24H,10-15H2/p+2