2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindoline-1,3-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C22H24N2O4/c1-3-27-19-11-15-9-10-23(13-16(15)12-20(19)28-4-2)14-24-21(25)17-7-5-6-8-18(17)22(24)26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3