5-(5-chloranyl-2-fluoranyl-phenyl)-4-ethyl-6-piperazin-1-yl-isoindole-1,3-dione

Systemtic Name: 5-(5-chloranyl-2-fluoranyl-phenyl)-4-ethyl-6-piperazin-1-yl-isoindole-1,3-dione Openeye Name: 5-(5-chloro-2-fluoro-phenyl)-4-ethyl-6-piperazin-1-yl-isoindoline-1,3-dione CAS Name: 5-(5-chloro-2-fluorophenyl)-4-ethyl-6-(1-piperazinyl)isoindole-1,3-dione IUPAC Name: 5-(5-chloro-2-fluorophenyl)-4-ethyl-6-piperazin-1-ylisoindole-1,3-dione Traditional Name: 5-(5-chloro-2-fluoro-phenyl)-4-ethyl-6-piperazino-isoindoline-1,3-quinone Formula: C20H19ClFN3O2 MolecularWeight: 387.835163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFN3O2/c1-2-12-17(13-9-11(21)3-4-15(13)22)16(25-7-5-23-6-8-25)10-14-18(12)20(27)24-19(14)26/h3-4,9-10,23H,2,5-8H2,1H3,(H,24,26,27)