2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one CAS Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrimidinyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-[4-(3,4-dimethoxyphenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-3-pyrazolin-3-one Formula: C27H22N4O3 MolecularWeight: 450.48858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4C(=O)C=C(N4)C5=CC=CC=C5)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/h3-17,30H,1-2H3