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

Systemtic Name: 1,3-bis[2-chloranyl-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1,3-bis[2-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1,3-bis[2-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1,3-bis[2-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1,3-bis[2-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H15Cl2F6N3 MolecularWeight: 494.260319

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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=CC(=C4)C(F)(F)F)Cl)C1

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2F6N3/c22-15-6-4-11(20(24,25)26)9-14(15)18-13-3-1-2-8-30-19(13)32(31-18)17-10-12(21(27,28)29)5-7-16(17)23/h4-7,9-10,31H,1-3,8H2