2-methyl-4,5-bis(2-phenylethynyl)pyridazin-3-one

Systemtic Name: 2-methyl-4,5-bis(2-phenylethynyl)pyridazin-3-one Openeye Name: 2-methyl-4,5-bis(2-phenylethynyl)pyridazin-3-one CAS Name: 2-methyl-4,5-bis(2-phenylethynyl)-3-pyridazinone IUPAC Name: 2-methyl-4,5-bis(2-phenylethynyl)pyridazin-3-one Traditional Name: 2-methyl-4,5-bis(2-phenylethynyl)pyridazin-3-one Formula: C21H14N2O MolecularWeight: 310.34866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H14N2O/c1-23-21(24)20(15-13-18-10-6-3-7-11-18)19(16-22-23)14-12-17-8-4-2-5-9-17/h2-11,16H,1H3