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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22ClN3O4/c1-14-11-18(19(30-2)12-17(14)23)25-20(27)7-9-24-21(28)13-26-10-8-15-5-3-4-6-16(15)22(26)29/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,24,28)(H,25,27)