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

Systemtic Name: 3-fluoranyl-4-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-fluoro-4-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-fluoro-4-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbonyl]benzonitrile Formula: C23H24FN5O3 MolecularWeight: 437.466763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)C#N)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C23H24FN5O3/c24-20-14-17(16-25)4-6-19(20)23(30)28-12-10-26(11-13-28)18-5-7-21(29(31)32)22(15-18)27-8-2-1-3-9-27/h4-7,14-15H,1-3,8-13H2