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

Systemtic Name: 2-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-fluorobenzyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C26H22FN3O3 MolecularWeight: 443.469583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H22FN3O3/c27-23-11-4-1-6-19(23)17-28-12-14-29(15-13-28)24(31)18-7-5-8-20(16-18)30-25(32)21-9-2-3-10-22(21)26(30)33/h1-11,16H,12-15,17H2