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

Systemtic Name: 8-bromanyl-6-pyridin-2-yl-1-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine Openeye Name: 8-bromo-6-(2-pyridyl)-1-(4-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1]benzazepine CAS Name: 8-bromo-6-(2-pyridinyl)-1-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine IUPAC Name: 8-bromo-6-pyridin-2-yl-1-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine Traditional Name: 8-bromo-6-(2-pyridyl)-1-(4-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1]benzazepine Formula: C21H14BrN5 MolecularWeight: 416.27336

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C(C=CC(=C2)Br)N3C1=NN=C3C4=CC=NC=C4)C5=CC=CC=N5

Isomeric SMILES

C1C=C(C2=C(C=CC(=C2)Br)N3C1=NN=C3C4=CC=NC=C4)C5=CC=CC=N5

InChI

InChI=1S/C21H14BrN5/c22-15-4-6-19-17(13-15)16(18-3-1-2-10-24-18)5-7-20-25-26-21(27(19)20)14-8-11-23-12-9-14/h1-6,8-13H,7H2