4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5)OC1

InChI

InChI=1S/C24H19N3O4/c28-23-18-7-2-1-6-17(18)19(24(29)27(23)22-8-3-4-11-25-22)15-26-16-9-10-20-21(14-16)31-13-5-12-30-20/h1-4,6-11,14-15,26H,5,12-13H2