3-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 3-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[3-(4-acetylpiperazine-1-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]isoindolin-1-one CAS Name: 3-[3-[(4-acetyl-1-piperazinyl)-oxomethyl]anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[3-(4-acetylpiperazine-1-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[3-(4-acetylpiperazine-1-carbonyl)anilino]-2-(4-fluorobenzyl)isoindolin-1-one Formula: C28H27FN4O3 MolecularWeight: 486.537383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O3/c1-19(34)31-13-15-32(16-14-31)27(35)21-5-4-6-23(17-21)30-26-24-7-2-3-8-25(24)28(36)33(26)18-20-9-11-22(29)12-10-20/h2-12,17,26,30H,13-16,18H2,1H3