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

Systemtic Name: 3-(3-bromophenyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-bromophenyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-bromophenyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-bromophenyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-bromophenyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22BrN3 MolecularWeight: 396.32348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C21H22BrN3/c1-14-7-5-11-19(15(14)2)25-21-18(10-3-4-12-23-21)20(24-25)16-8-6-9-17(22)13-16/h5-9,11,13,24H,3-4,10,12H2,1-2H3