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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl3F3N3/c21-12-5-6-13(16(23)10-12)18-14-3-1-2-8-27-19(14)29(28-18)17-9-11(20(24,25)26)4-7-15(17)22/h4-7,9-10,28H,1-3,8H2