(E)-3-(1,3-benzodioxol-5-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-2-22(26)24-10-9-16-5-6-18(12-17(16)13-24)23-21(25)8-4-15-3-7-19-20(11-15)28-14-27-19/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,23,25)/b8-4+