4-[[4-fluoranyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-fluoranyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-fluoro-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]methyl]benzonitrile Formula: C24H16FN3O2 MolecularWeight: 397.401143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H16FN3O2/c25-20-10-11-23(30-16-18-8-6-17(13-26)7-9-18)22(12-20)24(29)19-14-27-28(15-19)21-4-2-1-3-5-21/h1-12,14-15H,16H2