2-[2-(8-fluoranyl-6-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindoline-1,3-quinone Formula: C26H18FN5O2 MolecularWeight: 451.451823

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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=C4)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

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

InChI

InChI=1S/C26H18FN5O2/c27-17-10-11-21-20(14-17)24(16-6-2-1-3-7-16)28-15-23-30-29-22(32(21)23)12-13-31-25(33)18-8-4-5-9-19(18)26(31)34/h1-11,14H,12-13,15H2