3-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]benzonitrile Formula: C20H18FN3O2 MolecularWeight: 351.374223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18FN3O2/c21-18-6-4-15(5-7-18)13-19(25)23-8-10-24(11-9-23)20(26)17-3-1-2-16(12-17)14-22/h1-7,12H,8-11,13H2