2-isoquinolin-1-yl-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

Systemtic Name: 2-isoquinolin-1-yl-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole Openeye Name: 2-(1-isoquinolyl)-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)oxazole CAS Name: 2-(1-isoquinolinyl)-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)oxazole IUPAC Name: 2-isoquinolin-1-yl-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole Traditional Name: 2-(1-isoquinolyl)-5-(2-phenylethynyl)-4-(3,4,5-trimethoxyphenyl)oxazole Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C#CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H22N2O4/c1-32-24-17-21(18-25(33-2)28(24)34-3)26-23(14-13-19-9-5-4-6-10-19)35-29(31-26)27-22-12-8-7-11-20(22)15-16-30-27/h4-12,15-18H,1-3H3