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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4Br

InChI

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