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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-15-7-8-19(29-2)18(13-15)24-20(26)9-11-23-21(27)14-25-12-10-16-5-3-4-6-17(16)22(25)28/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,27)(H,24,26)