3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyethyl)-1-oxo-5-isoquinolyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyethyl)-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-keto-2-(2-methoxyethyl)-5-isoquinolyl]propionamide Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5/c1-27-12-11-24-10-9-16-17(22(24)26)3-2-4-18(16)23-21(25)8-6-15-5-7-19-20(13-15)29-14-28-19/h2-5,7,9-10,13H,6,8,11-12,14H2,1H3,(H,23,25)