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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

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