2-morpholin-4-yl-1-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-morpholin-4-yl-1-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-morpholino-1-[4-(5-nitro-2-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]ethanone CAS Name: 2-(4-morpholinyl)-1-[4-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-morpholin-4-yl-1-[4-(5-nitro-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-morpholino-1-[4-(5-nitro-2-pyrrolidino-benzoyl)piperazino]ethanone Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)CN4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)CN4CCOCC4

InChI

InChI=1S/C21H29N5O5/c27-20(16-22-11-13-31-14-12-22)24-7-9-25(10-8-24)21(28)18-15-17(26(29)30)3-4-19(18)23-5-1-2-6-23/h3-4,15H,1-2,5-14,16H2