2-[[2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(6-benzyloxy-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(6-benzoxy-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C35H30N2O4 MolecularWeight: 542.6237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C35H30N2O4/c1-23(2)20-36-31(21-37-34(39)27-15-9-10-16-28(27)35(37)40)32(25-13-7-4-8-14-25)30-19-26(17-18-29(30)33(36)38)41-22-24-11-5-3-6-12-24/h3-19,23H,20-22H2,1-2H3