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

Systemtic Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one Openeye Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one CAS Name: 2-[4-(4-bromophenyl)-6-phenyl-2-pyrimidinyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-3-pyrazolin-3-one Formula: C25H17BrN4O MolecularWeight: 469.33268

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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=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC(=CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H17BrN4O/c26-20-13-11-19(12-14-20)22-15-21(17-7-3-1-4-8-17)27-25(28-22)30-24(31)16-23(29-30)18-9-5-2-6-10-18/h1-16,29H