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

Systemtic Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2-fluorobenzyl)piperazino]methyl]-4-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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