N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenyl-ethanamide

Systemtic Name: N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenyl-ethanamide Openeye Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenyl-acetamide CAS Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenylacetamide IUPAC Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenylacetamide Traditional Name: N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-2-(3-ethoxypropylamino)-2-phenyl-acetamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl

Isomeric SMILES

CCOCCCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-2-29-12-6-10-24-20(15-7-4-3-5-8-15)22(28)26-19-13-16-9-11-25-21(27)17(16)14-18(19)23/h3-5,7-9,11,13-14,20,24H,2,6,10,12H2,1H3,(H,25,27)(H,26,28)