5-[3,5-bis(fluoranyl)-2-methoxy-phenyl]-3-(4-ethynylphenyl)-1H-pyrazole

Systemtic Name: 5-[3,5-bis(fluoranyl)-2-methoxy-phenyl]-3-(4-ethynylphenyl)-1H-pyrazole Openeye Name: 5-(3,5-difluoro-2-methoxy-phenyl)-3-(4-ethynylphenyl)-1H-pyrazole CAS Name: 5-(3,5-difluoro-2-methoxyphenyl)-3-(4-ethynylphenyl)-1H-pyrazole IUPAC Name: 5-(3,5-difluoro-2-methoxyphenyl)-3-(4-ethynylphenyl)-1H-pyrazole Traditional Name: 5-(3,5-difluoro-2-methoxy-phenyl)-3-(4-ethynylphenyl)-1H-pyrazole Formula: C18H12F2N2O MolecularWeight: 310.297486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=CC(=NN2)C3=CC=C(C=C3)C#C)F)F

Isomeric SMILES

COC1=C(C=C(C=C1C2=CC(=NN2)C3=CC=C(C=C3)C#C)F)F

InChI

InChI=1S/C18H12F2N2O/c1-3-11-4-6-12(7-5-11)16-10-17(22-21-16)14-8-13(19)9-15(20)18(14)23-2/h1,4-10H,2H3,(H,21,22)