4-(4-butanoylpiperazin-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-(4-butanoylpiperazin-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione Openeye Name: 4-(4-butanoylpiperazin-1-yl)-2-[(3-fluorophenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(3-fluorophenyl)methyl]-4-[4-(1-oxobutyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 4-(4-butanoylpiperazin-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-butyrylpiperazino)-2-(3-fluorobenzyl)isoindoline-1,3-quinone Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN3O3/c1-2-5-20(28)26-12-10-25(11-13-26)19-9-4-8-18-21(19)23(30)27(22(18)29)15-16-6-3-7-17(24)14-16/h3-4,6-9,14H,2,5,10-13,15H2,1H3