4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzamide

Systemtic Name: 4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzamide Openeye Name: 4-[[2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]ethyl]amino]benzamide IUPAC Name: 4-[[2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetyl]amino]benzamide Traditional Name: 4-[[2-[(2-allyl-1-keto-5-isoquinolyl)oxy]acetyl]amino]benzamide Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H19N3O4/c1-2-11-24-12-10-16-17(21(24)27)4-3-5-18(16)28-13-19(25)23-15-8-6-14(7-9-15)20(22)26/h2-10,12H,1,11,13H2,(H2,22,26)(H,23,25)