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

Systemtic Name: 2-[(3-fluorophenyl)methyl]-4-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3-fluorophenyl)methyl]-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(3-fluorophenyl)methyl]-4-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(3-fluorophenyl)methyl]-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-fluorobenzyl)-4-[4-(5-methylthiophene-2-carbonyl)piperazino]isoindoline-1,3-quinone Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C25H22FN3O3S/c1-16-8-9-21(33-16)24(31)28-12-10-27(11-13-28)20-7-3-6-19-22(20)25(32)29(23(19)30)15-17-4-2-5-18(26)14-17/h2-9,14H,10-13,15H2,1H3