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

Systemtic Name: N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenyl-ethanamide Openeye Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenyl-acetamide CAS Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide IUPAC Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide Traditional Name: N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenyl-acetamide Formula: C20H18ClN3O2 MolecularWeight: 367.82882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(C2=CC=CC=C2)C(=O)NC3=C(C=C4C(=C3)C=CNC4=O)Cl

Isomeric SMILES

C1CC1NC(C2=CC=CC=C2)C(=O)NC3=C(C=C4C(=C3)C=CNC4=O)Cl

InChI

InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)