5-(4-ethanoylpiperazin-1-yl)carbonyl-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione

Systemtic Name: 5-(4-ethanoylpiperazin-1-yl)carbonyl-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione Openeye Name: 5-(4-acetylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]isoindoline-1,3-dione CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione IUPAC Name: 5-(4-acetylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione Traditional Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(4-fluorobenzyl)isoindoline-1,3-quinone Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O4/c1-14(27)24-8-10-25(11-9-24)20(28)16-4-7-18-19(12-16)22(30)26(21(18)29)13-15-2-5-17(23)6-3-15/h2-7,12H,8-11,13H2,1H3