3-[2,4-bis(fluoranyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H16F5N3 MolecularWeight: 393.353156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F5N3/c21-13-7-8-15(17(22)11-13)18-16-6-1-2-9-26-19(16)28(27-18)14-5-3-4-12(10-14)20(23,24)25/h3-5,7-8,10-11,27H,1-2,6,9H2