5-[4-(4-fluorophenyl)piperazin-1-yl]-4-propyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-4-propyl-isoindole-1,3-dione Openeye Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-4-propyl-isoindoline-1,3-dione CAS Name: 5-[4-(4-fluorophenyl)-1-piperazinyl]-4-propylisoindole-1,3-dione IUPAC Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-4-propylisoindole-1,3-dione Traditional Name: 5-[4-(4-fluorophenyl)piperazino]-4-propyl-isoindoline-1,3-quinone Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2/c1-2-3-16-18(9-8-17-19(16)21(27)23-20(17)26)25-12-10-24(11-13-25)15-6-4-14(22)5-7-15/h4-9H,2-3,10-13H2,1H3,(H,23,26,27)