3-fluoranyl-4-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbonyl-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C=C(C=C4)C#N)F

InChI

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