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

Systemtic Name: 1-(2-bromophenyl)-3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-bromophenyl)-3-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-bromophenyl)-3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-bromophenyl)-3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-bromophenyl)-3-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20BrN3 MolecularWeight: 382.2969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN3/c1-14-7-6-8-15(13-14)19-16-9-4-5-12-22-20(16)24(23-19)18-11-3-2-10-17(18)21/h2-3,6-8,10-11,13,23H,4-5,9,12H2,1H3