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

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,3-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,3-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,3-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,3-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H16Cl2F3N3 MolecularWeight: 426.26235

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4C(F)(F)F)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4C(F)(F)F)C1

InChI

InChI=1S/C20H16Cl2F3N3/c21-15-9-5-10-16(17(15)22)28-19-13(7-3-4-11-26-19)18(27-28)12-6-1-2-8-14(12)20(23,24)25/h1-2,5-6,8-10,27H,3-4,7,11H2