4-[(4-phenylmethoxyphenyl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(4-phenylmethoxyphenyl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-benzyloxyphenyl)methylene]-2-(2-pyridylmethyl)isoquinoline-1,3-dione CAS Name: 4-[(4-phenylmethoxyphenyl)methylidene]-2-(2-pyridinylmethyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-phenylmethoxyphenyl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Traditional Name: 4-(4-benzoxybenzylidene)-2-(2-pyridylmethyl)isoquinoline-1,3-quinone Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=N5

InChI

InChI=1S/C29H22N2O3/c32-28-26-12-5-4-11-25(26)27(29(33)31(28)19-23-10-6-7-17-30-23)18-21-13-15-24(16-14-21)34-20-22-8-2-1-3-9-22/h1-18H,19-20H2