5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-(2-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-(2-methylphenyl)isoindole-1,3-dione Openeye Name: 5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-quinone Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5F

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5F

InChI

InChI=1S/C27H24FN3O3/c1-18-6-2-5-9-24(18)31-26(33)21-11-10-19(16-22(21)27(31)34)25(32)30-14-12-29(13-15-30)17-20-7-3-4-8-23(20)28/h2-11,16H,12-15,17H2,1H3