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

Systemtic Name: 2-butyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H23F3N4O3 MolecularWeight: 460.44893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O3/c1-2-3-8-30-21(32)17-6-4-15(13-18(17)22(30)33)20(31)29-11-9-28(10-12-29)19-7-5-16(14-27-19)23(24,25)26/h4-7,13-14H,2-3,8-12H2,1H3