4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: 4-[[3-(1-imidazolyl)propylamino]methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCN3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCN3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c29-22-20(15-23-11-4-13-26-14-12-24-16-26)21(17-5-2-1-3-6-17)25-27(22)18-7-9-19(10-8-18)28(30)31/h1-3,5-10,12,14-16,23H,4,11,13H2