2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(4-cyano-2-nitrophenyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(4-cyano-2-nitrophenyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4-cyano-2-nitro-phenyl)piperazino]-6-fluoro-benzonitrile Formula: C18H14FN5O2 MolecularWeight: 351.334463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN5O2/c19-15-2-1-3-16(14(15)12-21)22-6-8-23(9-7-22)17-5-4-13(11-20)10-18(17)24(25)26/h1-5,10H,6-9H2