N-(3-methoxyphenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(3-methoxyphenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(3-methoxyphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(3-methoxyphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(3-methoxyphenyl)propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-28-17-7-4-6-16(13-17)23-19(25)9-11-22-20(26)14-24-12-10-15-5-2-3-8-18(15)21(24)27/h2-8,10,12-13H,9,11,14H2,1H3,(H,22,26)(H,23,25)