2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethynylphenyl)acetamide Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2/c1-3-16-7-6-9-18(13-16)22-21(25)14-20-19-10-5-4-8-17(19)11-12-23(20)15(2)24/h1,4-13,20H,14H2,2H3,(H,22,25)