5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-isoindole-1,3-dione Openeye Name: 5-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methylisoindole-1,3-dione IUPAC Name: 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-methylisoindole-1,3-dione Traditional Name: 5-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-quinone Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H22FN3O4/c1-24-21(28)16-5-4-15(12-17(16)22(24)29)20(27)26-9-7-25(8-10-26)13-14-3-6-19(30-2)18(23)11-14/h3-6,11-12H,7-10,13H2,1-2H3