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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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