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

Systemtic Name: 2-[(3-fluorophenyl)methyl]-4-(4-pent-4-enoylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-[(3-fluorophenyl)methyl]-4-(4-pent-4-enoylpiperazin-1-yl)isoindoline-1,3-dione CAS Name: 2-[(3-fluorophenyl)methyl]-4-[4-(1-oxopent-4-enyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(3-fluorophenyl)methyl]-4-(4-pent-4-enoylpiperazin-1-yl)isoindole-1,3-dione Traditional Name: 2-(3-fluorobenzyl)-4-(4-pent-4-enoylpiperazino)isoindoline-1,3-quinone Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O3/c1-2-3-10-21(29)27-13-11-26(12-14-27)20-9-5-8-19-22(20)24(31)28(23(19)30)16-17-6-4-7-18(25)15-17/h2,4-9,15H,1,3,10-14,16H2