2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-pyrazol-3-olate

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-pyrazol-3-olate Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-pyrazol-3-olate CAS Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrimidinyl]-5-phenyl-3-pyrazololate IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]-5-phenylpyrazol-3-olate Traditional Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-pyrazol-3-olate Formula: C27H21N4O3- MolecularWeight: 449.48064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4C(=CC(=N4)C5=CC=CC=C5)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4C(=CC(=N4)C5=CC=CC=C5)[O-])OC

InChI

InChI=1S/C27H22N4O3/c1-33-24-14-13-20(15-25(24)34-2)22-16-21(18-9-5-3-6-10-18)28-27(29-22)31-26(32)17-23(30-31)19-11-7-4-8-12-19/h3-17,32H,1-2H3/p-1