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

Systemtic Name: 2-[[4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-benzyloxy-4-(2-fluorophenyl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-benzoxy-4-(2-fluorophenyl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C35H29FN2O4 MolecularWeight: 560.614163

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=C4F)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=C4F)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C35H29FN2O4/c1-22(2)19-37-31(20-38-34(40)25-12-6-7-13-26(25)35(38)41)32(28-14-8-9-15-30(28)36)29-18-24(16-17-27(29)33(37)39)42-21-23-10-4-3-5-11-23/h3-18,22H,19-21H2,1-2H3