2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H20N2O2S/c1-18(28)27-14-13-20-7-2-3-10-23(20)24(27)17-25(29)26-21-8-4-6-19(16-21)11-12-22-9-5-15-30-22/h2-10,13-16,24H,17H2,1H3,(H,26,29)/t24-/m1/s1