3-(5-bromanylpyridin-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-3-pyridyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromopyridin-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-3-pyridyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19BrN4O2 MolecularWeight: 427.29446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC4=C(C=C3)OCCO4)C5=CC(=CN=C5)Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC4=C(C=C3)OCCO4)C5=CC(=CN=C5)Br)C1

InChI

InChI=1S/C20H19BrN4O2/c21-14-9-13(11-22-12-14)19-16-3-1-2-6-23-20(16)25(24-19)15-4-5-17-18(10-15)27-8-7-26-17/h4-5,9-12,24H,1-3,6-8H2