2-(3-chloranylpropyl)-1-oxidanylidene-isoquinoline-4-carbonyl chloride

Systemtic Name: 2-(3-chloranylpropyl)-1-oxidanylidene-isoquinoline-4-carbonyl chloride Openeye Name: 2-(3-chloropropyl)-1-oxo-isoquinoline-4-carbonyl chloride CAS Name: 2-(3-chloropropyl)-1-oxo-4-isoquinolinecarbonyl chloride IUPAC Name: 2-(3-chloropropyl)-1-oxoisoquinoline-4-carbonyl chloride Traditional Name: 2-(3-chloropropyl)-1-keto-isoquinoline-4-carbonyl chloride Formula: C13H11Cl2NO2 MolecularWeight: 284.13794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CCCCl)C(=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CCCCl)C(=O)Cl

InChI

InChI=1S/C13H11Cl2NO2/c14-6-3-7-16-8-11(12(15)17)9-4-1-2-5-10(9)13(16)18/h1-2,4-5,8H,3,6-7H2