N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O5/c26-20(24-16-5-6-18-19(13-16)30-12-11-29-18)7-9-23-21(27)14-25-10-8-15-3-1-2-4-17(15)22(25)28/h1-6,8,10,13H,7,9,11-12,14H2,(H,23,27)(H,24,26)