N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(oxan-4-ylmethylamino)ethanamide

Systemtic Name: N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(oxan-4-ylmethylamino)ethanamide Openeye Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(tetrahydropyran-4-ylmethylamino)acetamide CAS Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(4-oxanylmethylamino)acetamide IUPAC Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(oxan-4-ylmethylamino)acetamide Traditional Name: N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-2-(tetrahydropyran-4-ylmethylamino)acetamide Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNCC(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl

Isomeric SMILES

C1COCCC1CNCC(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl

InChI

InChI=1S/C17H20ClN3O3/c18-14-8-13-12(1-4-20-17(13)23)7-15(14)21-16(22)10-19-9-11-2-5-24-6-3-11/h1,4,7-8,11,19H,2-3,5-6,9-10H2,(H,20,23)(H,21,22)