N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-ethyl-ethanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-ethyl-ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-acetamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H27N3O5/c1-3-27(16-24(30)26-19-8-9-22-23(14-19)33-13-12-32-22)25(31)15-21-20-7-5-4-6-18(20)10-11-28(21)17(2)29/h4-11,14,21H,3,12-13,15-16H2,1-2H3,(H,26,30)