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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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