N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-piperonylamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c1-2-19(23)22-8-7-13-3-5-16(9-15(13)11-22)21-20(24)14-4-6-17-18(10-14)26-12-25-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,21,24)