3-(1,3-benzodioxol-5-yl)-N-[2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-morpholinoethyl)-1-oxo-5-isoquinolyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[2-(4-morpholinyl)ethyl]-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-keto-2-(2-morpholinoethyl)-5-isoquinolyl]propionamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O5/c29-24(7-5-18-4-6-22-23(16-18)33-17-32-22)26-21-3-1-2-20-19(21)8-9-28(25(20)30)11-10-27-12-14-31-15-13-27/h1-4,6,8-9,16H,5,7,10-15,17H2,(H,26,29)