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

Systemtic Name: 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[4-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C26H26F3N3O3 MolecularWeight: 485.49815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H26F3N3O3/c27-26(28,29)18-4-3-5-20(16-18)30-12-14-31(15-13-30)23(33)17-8-10-19(11-9-17)32-24(34)21-6-1-2-7-22(21)25(32)35/h3-5,8-11,16,21-22H,1-2,6-7,12-15H2