2-fluoranyl-6-[4-[(3-phenyl-1,2-oxazol-5-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(3-phenyl-1,2-oxazol-5-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(3-phenylisoxazole-5-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-(3-phenyl-5-isoxazolyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(3-phenylisoxazole-5-carbonyl)piperazino]benzonitrile Formula: C21H17FN4O2 MolecularWeight: 376.383683

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(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H17FN4O2/c22-17-7-4-8-19(16(17)14-23)25-9-11-26(12-10-25)21(27)20-13-18(24-28-20)15-5-2-1-3-6-15/h1-8,13H,9-12H2