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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,3-benzodioxol-5-yl)acrylamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14(24)23-9-8-16-4-5-18(11-17(16)12-23)22-21(25)7-3-15-2-6-19-20(10-15)27-13-26-19/h2-7,10-11H,8-9,12-13H2,1H3,(H,22,25)/b7-3+