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

Systemtic Name: 2-[[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-[2-(4-fluorophenyl)acetyl]piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O5/c22-15-3-1-14(2-4-15)11-19(27)24-9-7-23(8-10-24)13-25-20(28)17-6-5-16(26(30)31)12-18(17)21(25)29/h1-6,12H,7-11,13H2