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

Systemtic Name: 3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5Br)C1

InChI

InChI=1S/C21H20BrN3O2/c22-17-7-2-1-5-15(17)20-16-6-3-4-10-23-21(16)25(24-20)14-8-9-18-19(13-14)27-12-11-26-18/h1-2,5,7-9,13,24H,3-4,6,10-12H2