8-bromanyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-bromanyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-piperazin-1-yl-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-(1-piperazinyl)-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-piperazino-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C19H18BrN7 MolecularWeight: 424.29712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=N5

InChI

InChI=1S/C19H18BrN7/c20-13-4-5-16-14(11-13)18(15-3-1-2-6-22-15)23-12-17-24-25-19(27(16)17)26-9-7-21-8-10-26/h1-6,11,21H,7-10,12H2