2-butyl-5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-butyl-isoindoline-1,3-dione CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-butylisoindole-1,3-dione IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-2-butylisoindole-1,3-dione Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-butyl-isoindoline-1,3-quinone Formula: C25H26FN3O4 MolecularWeight: 451.490043

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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=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O4/c1-3-4-9-29-24(32)19-7-5-18(14-20(19)25(29)33)23(31)28-12-10-27(11-13-28)22-8-6-17(16(2)30)15-21(22)26/h5-8,14-15H,3-4,9-13H2,1-2H3