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

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H15Cl3F3N3 MolecularWeight: 460.70741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl3F3N3/c21-14-8-7-11(20(24,25)26)10-13(14)18-12-4-1-2-9-27-19(12)29(28-18)16-6-3-5-15(22)17(16)23/h3,5-8,10,28H,1-2,4,9H2