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

Systemtic Name: 3-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H17F3IN3 MolecularWeight: 483.26876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3IN3/c21-20(22,23)14-6-10-16(11-7-14)27-19-17(3-1-2-12-25-19)18(26-27)13-4-8-15(24)9-5-13/h4-11,26H,1-3,12H2