2-[2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)-6-phenyl-pyrimidin-4-yl]phenolate

Systemtic Name: 2-[2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)-6-phenyl-pyrimidin-4-yl]phenolate Openeye Name: 2-[2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-6-phenyl-pyrimidin-4-yl]phenolate CAS Name: 2-[2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-6-phenyl-4-pyrimidinyl]phenolate IUPAC Name: 2-[2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-6-phenylpyrimidin-4-yl]phenolate Traditional Name: 2-[2-(5-keto-3-phenyl-3-pyrazolin-1-yl)-6-phenyl-pyrimidin-4-yl]phenolate Formula: C25H17N4O2- MolecularWeight: 405.42808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC(=CC(=N3)C4=CC=CC=C4[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC(=CC(=N3)C4=CC=CC=C4[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O2/c30-23-14-8-7-13-19(23)22-15-20(17-9-3-1-4-10-17)26-25(27-22)29-24(31)16-21(28-29)18-11-5-2-6-12-18/h1-16,28,30H/p-1