1-[[4-(2-phenylethynyl)phenyl]methyl]isoquinoline

Systemtic Name: 1-[[4-(2-phenylethynyl)phenyl]methyl]isoquinoline Openeye Name: 1-[[4-(2-phenylethynyl)phenyl]methyl]isoquinoline CAS Name: 1-[[4-(2-phenylethynyl)phenyl]methyl]isoquinoline IUPAC Name: 1-[[4-(2-phenylethynyl)phenyl]methyl]isoquinoline Traditional Name: 1-[4-(2-phenylethynyl)benzyl]isoquinoline Formula: C24H17N MolecularWeight: 319.39848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H17N/c1-2-6-19(7-3-1)10-11-20-12-14-21(15-13-20)18-24-23-9-5-4-8-22(23)16-17-25-24/h1-9,12-17H,18H2