N-(3-acetamidoisoquinolin-5-yl)-2,2,2-tris(chloranyl)ethanamide

Systemtic Name: N-(3-acetamidoisoquinolin-5-yl)-2,2,2-tris(chloranyl)ethanamide Openeye Name: N-(3-acetamido-5-isoquinolyl)-2,2,2-trichloro-acetamide CAS Name: N-(3-acetamido-5-isoquinolinyl)-2,2,2-trichloroacetamide IUPAC Name: N-(3-acetamidoisoquinolin-5-yl)-2,2,2-trichloroacetamide Traditional Name: N-(3-acetamido-5-isoquinolyl)-2,2,2-trichloro-acetamide Formula: C13H10Cl3N3O2 MolecularWeight: 346.5964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C2C=CC=C(C2=C1)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC(=O)NC1=NC=C2C=CC=C(C2=C1)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H10Cl3N3O2/c1-7(20)18-11-5-9-8(6-17-11)3-2-4-10(9)19-12(21)13(14,15)16/h2-6H,1H3,(H,19,21)(H,17,18,20)