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

Systemtic Name: 5-nitro-2-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-keto-2-piperidino-ethyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c26-18(23-6-2-1-3-7-23)13-21-8-10-22(11-9-21)14-24-19(27)16-5-4-15(25(29)30)12-17(16)20(24)28/h4-5,12H,1-3,6-11,13-14H2