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

Systemtic Name: 3-(3-bromophenyl)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-bromophenyl)-1-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-bromophenyl)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-bromophenyl)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-bromophenyl)-1-(o-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=CC=C1N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)Br

InChI

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