2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-keto-butyl]isoindoline-1,3-quinone Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C23H22N2O5/c1-29-20-11-14-7-9-24-19(18(14)13-21(20)30-2)12-15(26)8-10-25-22(27)16-5-3-4-6-17(16)23(25)28/h3-6,11,13H,7-10,12H2,1-2H3