2-[2-[8-fluoranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[8-fluoranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[8-fluoro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[8-fluoro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[8-fluoro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[8-fluoro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C26H17F2N5O2 MolecularWeight: 469.442286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4F)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4F)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H17F2N5O2/c27-15-9-10-21-19(13-15)24(18-7-3-4-8-20(18)28)29-14-23-31-30-22(33(21)23)11-12-32-25(34)16-5-1-2-6-17(16)26(32)35/h1-10,13H,11-12,14H2