4-[4-(2-fluorophenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-nitro-benzonitrile Formula: C17H15FN4O2 MolecularWeight: 326.325003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C17H15FN4O2/c18-14-3-1-2-4-15(14)20-7-9-21(10-8-20)16-6-5-13(12-19)11-17(16)22(23)24/h1-6,11H,7-10H2