4-[5-[bis(fluoranyl)methyl]-2-(4-methoxyphenyl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[bis(fluoranyl)methyl]-2-(4-methoxyphenyl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(difluoromethyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile CAS Name: 4-[5-(difluoromethyl)-2-(4-methoxyphenyl)-3-pyrazolyl]benzonitrile IUPAC Name: 4-[5-(difluoromethyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile Traditional Name: 4-[5-(difluoromethyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile Formula: C18H13F2N3O MolecularWeight: 325.312126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13F2N3O/c1-24-15-8-6-14(7-9-15)23-17(10-16(22-23)18(19)20)13-4-2-12(11-21)3-5-13/h2-10,18H,1H3