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

Systemtic Name: 3-(3-bromophenyl)-1-[4-(trifluoromethyloxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-bromophenyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-bromophenyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-bromophenyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-bromophenyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H17BrF3N3O MolecularWeight: 452.26769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrF3N3O/c21-14-5-3-4-13(12-14)18-17-6-1-2-11-25-19(17)27(26-18)15-7-9-16(10-8-15)28-20(22,23)24/h3-5,7-10,12,26H,1-2,6,11H2