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

Systemtic Name: 3-(1-adamantyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-adamantyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(1-adamantyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-adamantyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-adamantyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H28F3N3 MolecularWeight: 415.49443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C(F)(F)F)C45CC6CC(C4)CC(C6)C5)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C(F)(F)F)C45CC6CC(C4)CC(C6)C5)C1

InChI

InChI=1S/C24H28F3N3/c25-24(26,27)18-4-6-19(7-5-18)30-22-20(3-1-2-8-28-22)21(29-30)23-12-15-9-16(13-23)11-17(10-15)14-23/h4-7,15-17,29H,1-3,8-14H2