2-pentyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-pentyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-pentylisoindole-1,3-dione IUPAC Name: 2-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-amyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]isoindoline-1,3-quinone Formula: C25H26F3N3O3 MolecularWeight: 473.48745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H26F3N3O3/c1-2-3-6-11-31-23(33)18-10-9-17(16-20(18)24(31)34)29-12-14-30(15-13-29)22(32)19-7-4-5-8-21(19)25(26,27)28/h4-5,7-10,16H,2-3,6,11-15H2,1H3