2-methyl-5-(methylamino)-4-(2-phenylethynyl)pyridazin-3-one

Systemtic Name: 2-methyl-5-(methylamino)-4-(2-phenylethynyl)pyridazin-3-one Openeye Name: 2-methyl-5-(methylamino)-4-(2-phenylethynyl)pyridazin-3-one CAS Name: 2-methyl-5-(methylamino)-4-(2-phenylethynyl)-3-pyridazinone IUPAC Name: 2-methyl-5-(methylamino)-4-(2-phenylethynyl)pyridazin-3-one Traditional Name: 2-methyl-5-(methylamino)-4-(2-phenylethynyl)pyridazin-3-one Formula: C14H13N3O MolecularWeight: 239.27252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(N=C1)C)C#CC2=CC=CC=C2

Isomeric SMILES

CNC1=C(C(=O)N(N=C1)C)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H13N3O/c1-15-13-10-16-17(2)14(18)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,15H,1-2H3