2-[2-(7-bromanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(7-bromanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[7-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[7-bromo-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(7-bromo-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[7-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C25H17BrN6O2 MolecularWeight: 513.34548

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C(=CC=C3)Br)C(=N1)C4=CC=CC=N4)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2=NN=C(N2C3=C(C(=CC=C3)Br)C(=N1)C4=CC=CC=N4)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H17BrN6O2/c26-17-8-5-10-19-22(17)23(18-9-3-4-12-27-18)28-14-21-30-29-20(32(19)21)11-13-31-24(33)15-6-1-2-7-16(15)25(31)34/h1-10,12H,11,13-14H2