2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C20H24F3N3O2 MolecularWeight: 395.41867

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-26-18(27)16-6-1-2-7-17(16)19(26)28/h3-5,12,16-17H,1-2,6-11,13H2