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

Systemtic Name: N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(cyclobutylamino)-2-phenyl-ethanamide Openeye Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclobutylamino)-2-phenyl-acetamide CAS Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclobutylamino)-2-phenylacetamide IUPAC Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclobutylamino)-2-phenylacetamide Traditional Name: N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-2-(cyclobutylamino)-2-phenyl-acetamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(C2=CC=CC=C2)C(=O)NC3=C(C=C4C(=C3)C=CNC4=O)Cl

Isomeric SMILES

C1CC(C1)NC(C2=CC=CC=C2)C(=O)NC3=C(C=C4C(=C3)C=CNC4=O)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-17-12-16-14(9-10-23-20(16)26)11-18(17)25-21(27)19(24-15-7-4-8-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,15,19,24H,4,7-8H2,(H,23,26)(H,25,27)