2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline

Systemtic Name: 2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Openeye Name: 2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline CAS Name: 2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline IUPAC Name: 2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Traditional Name: 2-(4-chlorophenyl)-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Formula: C29H20ClN MolecularWeight: 417.9288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN/c30-25-16-18-26(19-17-25)31-28(20-15-22-9-3-1-4-10-22)27-14-8-7-13-24(27)21-29(31)23-11-5-2-6-12-23/h1-14,16-19,21,28H