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

Systemtic Name: 2-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]isoindoline-1,3-quinone Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C23H26N2O4/c1-28-20-13-15-10-11-24-19(18(15)14-21(20)29-2)9-5-6-12-25-22(26)16-7-3-4-8-17(16)23(25)27/h3-4,7-8,13-14,19,24H,5-6,9-12H2,1-2H3