5-ethyl-4-fluoranyl-6-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 5-ethyl-4-fluoranyl-6-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Openeye Name: 5-ethyl-4-fluoro-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 5-ethyl-4-fluoro-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 5-ethyl-4-fluoro-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 5-ethyl-4-fluoro-6-[4-(6-fluoroindoxazen-3-yl)piperidino]isoindoline-1,3-quinone Formula: C22H19F2N3O3 MolecularWeight: 411.401366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1F)C(=O)NC2=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

CCC1=C(C=C2C(=C1F)C(=O)NC2=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H19F2N3O3/c1-2-13-16(10-15-18(19(13)24)22(29)25-21(15)28)27-7-5-11(6-8-27)20-14-4-3-12(23)9-17(14)30-26-20/h3-4,9-11H,2,5-8H2,1H3,(H,25,28,29)