2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]propyl]isoindoline-1,3-quinone Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(N3)C=C(C=C4)CCCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(N3)C=C(C=C4)CCCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H19N3O4/c29-24-17-5-1-2-6-18(17)25(30)28(24)11-3-4-15-7-9-19-20(12-15)27-23(26-19)16-8-10-21-22(13-16)32-14-31-21/h1-2,5-10,12-13H,3-4,11,14H2,(H,26,27)