4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methylene]-2-p-phenetyl-isoquinoline-1,3-quinone Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC4COC5=CC=CC=C5O4)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC4COC5=CC=CC=C5O4)C2=O

InChI

InChI=1S/C27H24N2O5/c1-2-32-19-13-11-18(12-14-19)29-26(30)22-8-4-3-7-21(22)23(27(29)31)16-28-15-20-17-33-24-9-5-6-10-25(24)34-20/h3-14,16,20,28H,2,15,17H2,1H3