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

Systemtic Name: 3-(2-bromophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-bromophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-bromophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-bromophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-bromophenyl)-1-o-phenetyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22BrN3O MolecularWeight: 412.32288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4Br

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4Br

InChI

InChI=1S/C21H22BrN3O/c1-2-26-19-13-6-5-12-18(19)25-21-16(10-7-8-14-23-21)20(24-25)15-9-3-4-11-17(15)22/h3-6,9,11-13,24H,2,7-8,10,14H2,1H3