N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5/c1-30-18-12-19(31-2)17(11-16(18)23)25-20(27)7-9-24-21(28)13-26-10-8-14-5-3-4-6-15(14)22(26)29/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,24,28)(H,25,27)