1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline

Systemtic Name: 1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline Openeye Name: 1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline CAS Name: 1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline IUPAC Name: 1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline Traditional Name: 1-[2-(4-bromophenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline Formula: C29H20BrN MolecularWeight: 462.3798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(N2C4=CC=CC=C4)C#CC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(N2C4=CC=CC=C4)C#CC5=CC=C(C=C5)Br

InChI

InChI=1S/C29H20BrN/c30-25-18-15-22(16-19-25)17-20-28-27-14-8-7-11-24(27)21-29(23-9-3-1-4-10-23)31(28)26-12-5-2-6-13-26/h1-16,18-19,21,28H