N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

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