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

Systemtic Name: 4-nitro-2-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-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]-4-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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