2-(4-methoxyphenyl)-1-(2-phenylethynyl)imidazo[5,1-a]isoquinolin-3-one

Systemtic Name: 2-(4-methoxyphenyl)-1-(2-phenylethynyl)imidazo[5,1-a]isoquinolin-3-one Openeye Name: 2-(4-methoxyphenyl)-1-(2-phenylethynyl)imidazo[5,1-a]isoquinolin-3-one CAS Name: 2-(4-methoxyphenyl)-1-(2-phenylethynyl)-3-imidazo[5,1-a]isoquinolinone IUPAC Name: 2-(4-methoxyphenyl)-1-(2-phenylethynyl)imidazo[5,1-a]isoquinolin-3-one Traditional Name: 2-(4-methoxyphenyl)-1-(2-phenylethynyl)imidaz[5,1-a]isoquinolin-3-one Formula: C26H18N2O2 MolecularWeight: 390.43332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C3C4=CC=CC=C4C=CN3C2=O)C#CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C3C4=CC=CC=C4C=CN3C2=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H18N2O2/c1-30-22-14-12-21(13-15-22)28-24(16-11-19-7-3-2-4-8-19)25-23-10-6-5-9-20(23)17-18-27(25)26(28)29/h2-10,12-15,17-18H,1H3