4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-fluorobenzyl)piperazino]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C24H22FN3O2S/c25-20-6-2-1-4-18(20)15-26-9-11-27(12-10-26)21-7-3-5-19-22(21)24(30)28(23(19)29)14-17-8-13-31-16-17/h1-8,13,16H,9-12,14-15H2