N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]acetamide Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)Cl)OC

InChI

InChI=1S/C21H20ClN3O5/c1-29-17-10-18(30-2)16(9-15(17)22)24-19(26)11-23-20(27)12-25-8-7-13-5-3-4-6-14(13)21(25)28/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)