N-(5-chloranyl-2-methoxy-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20ClN3O4/c1-29-18-7-6-15(22)12-17(18)24-19(26)8-10-23-20(27)13-25-11-9-14-4-2-3-5-16(14)21(25)28/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,27)(H,24,26)