phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone

Systemtic Name: phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone Openeye Name: phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone CAS Name: phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone IUPAC Name: phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone Traditional Name: phenyl-[1-(2-phenylethynyl)-1H-isoquinolin-2-yl]methanone Formula: C24H17NO MolecularWeight: 335.39788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H17NO/c26-24(21-12-5-2-6-13-21)25-18-17-20-11-7-8-14-22(20)23(25)16-15-19-9-3-1-4-10-19/h1-14,17-18,23H