4-ethyl-6-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 4-ethyl-6-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione Openeye Name: 4-ethyl-6-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]isoindoline-1,3-dione CAS Name: 4-ethyl-6-(1-piperazinyl)-5-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione IUPAC Name: 4-ethyl-6-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione Traditional Name: 4-ethyl-6-piperazino-5-[4-(trifluoromethyl)phenyl]isoindoline-1,3-quinone Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1C3=CC=C(C=C3)C(F)(F)F)N4CCNCC4)C(=O)NC2=O

Isomeric SMILES

CCC1=C2C(=CC(=C1C3=CC=C(C=C3)C(F)(F)F)N4CCNCC4)C(=O)NC2=O

InChI

InChI=1S/C21H20F3N3O2/c1-2-14-17(12-3-5-13(6-4-12)21(22,23)24)16(27-9-7-25-8-10-27)11-15-18(14)20(29)26-19(15)28/h3-6,11,25H,2,7-10H2,1H3,(H,26,28,29)