3-(2,5-dimethylpiperazin-1-yl)-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(2,5-dimethylpiperazin-1-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 3-(2,5-dimethylpiperazin-1-yl)-2-fluoro-benzonitrile CAS Name: 3-(2,5-dimethyl-1-piperazinyl)-2-fluorobenzonitrile IUPAC Name: 3-(2,5-dimethylpiperazin-1-yl)-2-fluorobenzonitrile Traditional Name: 3-(2,5-dimethylpiperazino)-2-fluoro-benzonitrile Formula: C13H16FN3 MolecularWeight: 233.284643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=CC=CC(=C2F)C#N)C

Isomeric SMILES

CC1CNC(CN1C2=CC=CC(=C2F)C#N)C

InChI

InChI=1S/C13H16FN3/c1-9-8-17(10(2)7-16-9)12-5-3-4-11(6-15)13(12)14/h3-5,9-10,16H,7-8H2,1-2H3