4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-phthalonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-5-nitro-phthalonitrile Formula: C18H14FN5O2 MolecularWeight: 351.334463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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