2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methyl]isoindoline-1,3-quinone Formula: C30H25N3O4 MolecularWeight: 491.5372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CN3C(=O)C4=CC=CC=C4C3=O)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CN3C(=O)C4=CC=CC=C4C3=O)OC(CN5C=CN=C5)C6=CC=CC=C6)C(=O)C1

InChI

InChI=1S/C30H25N3O4/c34-26-12-6-11-21-22(26)13-14-27(25(21)17-33-29(35)23-9-4-5-10-24(23)30(33)36)37-28(18-32-16-15-31-19-32)20-7-2-1-3-8-20/h1-5,7-10,13-16,19,28H,6,11-12,17-18H2