4-ethyl-5-piperazin-1-yl-7-pyridin-2-yl-6-(trifluoromethyl)isoindole-1,3-dione

Systemtic Name: 4-ethyl-5-piperazin-1-yl-7-pyridin-2-yl-6-(trifluoromethyl)isoindole-1,3-dione Openeye Name: 4-ethyl-5-piperazin-1-yl-7-(2-pyridyl)-6-(trifluoromethyl)isoindoline-1,3-dione CAS Name: 4-ethyl-5-(1-piperazinyl)-7-(2-pyridinyl)-6-(trifluoromethyl)isoindole-1,3-dione IUPAC Name: 4-ethyl-5-piperazin-1-yl-7-pyridin-2-yl-6-(trifluoromethyl)isoindole-1,3-dione Traditional Name: 4-ethyl-5-piperazino-7-(2-pyridyl)-6-(trifluoromethyl)isoindoline-1,3-quinone Formula: C20H19F3N4O2 MolecularWeight: 404.38567

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1N3CCNCC3)C(F)(F)F)C4=CC=CC=N4)C(=O)NC2=O

Isomeric SMILES

CCC1=C2C(=C(C(=C1N3CCNCC3)C(F)(F)F)C4=CC=CC=N4)C(=O)NC2=O

InChI

InChI=1S/C20H19F3N4O2/c1-2-11-13-15(19(29)26-18(13)28)14(12-5-3-4-6-25-12)16(20(21,22)23)17(11)27-9-7-24-8-10-27/h3-6,24H,2,7-10H2,1H3,(H,26,28,29)