2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline

Systemtic Name: 2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Openeye Name: 2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline CAS Name: 2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline IUPAC Name: 2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Traditional Name: 2-(3-nitrophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Formula: C29H20N2O2 MolecularWeight: 428.4813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O2/c32-31(33)26-16-9-15-25(21-26)30-28(19-18-22-10-3-1-4-11-22)27-17-8-7-14-24(27)20-29(30)23-12-5-2-6-13-23/h1-17,20-21,28H