2-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazino]-6-fluoro-benzonitrile Formula: C21H17ClFN5O MolecularWeight: 409.843983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H17ClFN5O/c22-16-5-2-1-4-14(16)18-12-19(26-25-18)21(29)28-10-8-27(9-11-28)20-7-3-6-17(23)15(20)13-24/h1-7,12H,8-11H2,(H,25,26)