3-fluoranyl-4-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(2-morpholino-5-nitro-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-(2-morpholino-5-nitro-benzoyl)piperazino]benzonitrile Formula: C22H22FN5O4 MolecularWeight: 439.439583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)F)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)F)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H22FN5O4/c23-19-13-16(15-24)1-3-21(19)25-5-7-27(8-6-25)22(29)18-14-17(28(30)31)2-4-20(18)26-9-11-32-12-10-26/h1-4,13-14H,5-12H2