N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methyl-1-oxo-2-isoquinolyl)acetamide CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methyl-1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-keto-3-methyl-2-isoquinolyl)acetamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O4/c1-14-10-15-6-2-3-7-17(15)21(25)23(14)12-20(24)22-11-16-13-26-18-8-4-5-9-19(18)27-16/h2-10,16H,11-13H2,1H3,(H,22,24)/t16-/m1/s1