5-butyl-6-piperazin-1-yl-4-[6-(trifluoromethyl)pyridin-2-yl]isoindole-1,3-dione

Systemtic Name: 5-butyl-6-piperazin-1-yl-4-[6-(trifluoromethyl)pyridin-2-yl]isoindole-1,3-dione Openeye Name: 5-butyl-6-piperazin-1-yl-4-[6-(trifluoromethyl)-2-pyridyl]isoindoline-1,3-dione CAS Name: 5-butyl-6-(1-piperazinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]isoindole-1,3-dione IUPAC Name: 5-butyl-6-piperazin-1-yl-4-[6-(trifluoromethyl)pyridin-2-yl]isoindole-1,3-dione Traditional Name: 5-butyl-6-piperazino-4-[6-(trifluoromethyl)-2-pyridyl]isoindoline-1,3-quinone Formula: C22H23F3N4O2 MolecularWeight: 432.43883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1C3=NC(=CC=C3)C(F)(F)F)C(=O)NC2=O)N4CCNCC4

Isomeric SMILES

CCCCC1=C(C=C2C(=C1C3=NC(=CC=C3)C(F)(F)F)C(=O)NC2=O)N4CCNCC4

InChI

InChI=1S/C22H23F3N4O2/c1-2-3-5-13-16(29-10-8-26-9-11-29)12-14-19(21(31)28-20(14)30)18(13)15-6-4-7-17(27-15)22(23,24)25/h4,6-7,12,26H,2-3,5,8-11H2,1H3,(H,28,30,31)