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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O3/c28-21-7-9-22(10-8-21)29-14-16-30(17-15-29)25(32)20-6-11-23-24(18-20)27(34)31(26(23)33)13-12-19-4-2-1-3-5-19/h1-11,18H,12-17H2