1-phenyl-2-[2-(2-phenylethynyl)phenyl]carbonyl-5H-pyrazolo[5,1-a]isoquinolin-6-one

Systemtic Name: 1-phenyl-2-[2-(2-phenylethynyl)phenyl]carbonyl-5H-pyrazolo[5,1-a]isoquinolin-6-one Openeye Name: 1-phenyl-2-[2-(2-phenylethynyl)benzoyl]-5H-pyrazolo[5,1-a]isoquinolin-6-one CAS Name: 2-[oxo-[2-(2-phenylethynyl)phenyl]methyl]-1-phenyl-5H-pyrazolo[5,1-a]isoquinolin-6-one IUPAC Name: 1-phenyl-2-[2-(2-phenylethynyl)benzoyl]-5H-pyrazolo[5,1-a]isoquinolin-6-one Traditional Name: 1-phenyl-2-[2-(2-phenylethynyl)benzoyl]-5H-pyrazol[5,1-a]isoquinolin-6-one Formula: C32H20N2O2 MolecularWeight: 464.5134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=CC=CC=C2C3=C(C(=NN31)C(=O)C4=CC=CC=C4C#CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(=O)C2=CC=CC=C2C3=C(C(=NN31)C(=O)C4=CC=CC=C4C#CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H20N2O2/c35-28-21-34-31(27-18-10-9-17-26(27)28)29(24-14-5-2-6-15-24)30(33-34)32(36)25-16-8-7-13-23(25)20-19-22-11-3-1-4-12-22/h1-18H,21H2