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

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H16ClF4N3 MolecularWeight: 409.807753

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3C(F)(F)F)C4=C(C=C(C=C4)F)Cl)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3C(F)(F)F)C4=C(C=C(C=C4)F)Cl)C1

InChI

InChI=1S/C20H16ClF4N3/c21-16-11-12(22)8-9-13(16)18-14-5-3-4-10-26-19(14)28(27-18)17-7-2-1-6-15(17)20(23,24)25/h1-2,6-9,11,27H,3-5,10H2