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

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3,5-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,5-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3,5-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3,5-dichlorophenyl)-3-[4-(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=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)C(F)(F)F)C1

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2F3N3/c21-14-9-15(22)11-16(10-14)28-19-17(3-1-2-8-26-19)18(27-28)12-4-6-13(7-5-12)20(23,24)25/h4-7,9-11,27H,1-3,8H2