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

Systemtic Name: 3-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H17BrFN3 MolecularWeight: 386.260783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)F)C4=CC(=CC=C4)Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)F)C4=CC(=CC=C4)Br)C1

InChI

InChI=1S/C19H17BrFN3/c20-14-5-3-4-13(12-14)18-17-6-1-2-11-22-19(17)24(23-18)16-9-7-15(21)8-10-16/h3-5,7-10,12,23H,1-2,6,11H2