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

Systemtic Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2-fluorobenzyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H19FN4O4 MolecularWeight: 398.387663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O4/c21-18-4-2-1-3-14(18)12-22-7-9-23(10-8-22)13-24-19(26)16-6-5-15(25(28)29)11-17(16)20(24)27/h1-6,11H,7-10,12-13H2