1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-(2-thienyl)ethynyl]anilino]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(2-thiophen-2-ylethynyl)anilino]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(2-thiophen-2-ylethynyl)anilino]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[2-(2-thienyl)ethynyl]anilino]ethanone Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C23H20N2OS/c26-23(25-13-12-19-6-1-2-7-20(19)17-25)16-24-21-8-3-5-18(15-21)10-11-22-9-4-14-27-22/h1-9,14-15,24H,12-13,16-17H2