2-(4-nitrophenyl)-5-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4-[(3-pyridylmethylamino)methylene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-phenyl-4-[(3-pyridinylmethylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4-[(3-pyridylmethylamino)methylene]-2-pyrazolin-3-one Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3/c28-22-20(15-24-14-16-5-4-12-23-13-16)21(17-6-2-1-3-7-17)25-26(22)18-8-10-19(11-9-18)27(29)30/h1-13,15,24H,14H2