1-[5-[bis(fluoranyl)methoxy]-4-bromanyl-1-methyl-pyrazol-3-yl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 1-[5-[bis(fluoranyl)methoxy]-4-bromanyl-1-methyl-pyrazol-3-yl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)pyrazole-4-carbonitrile Openeye Name: 1-[4-bromo-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)pyrazole-4-carbonitrile CAS Name: 1-[4-bromo-5-(difluoromethoxy)-1-methyl-3-pyrazolyl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 1-[4-bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)pyrazole-4-carbonitrile Traditional Name: 1-[4-bromo-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-5-(4,7-dihydro-1,3-dioxepin-2-yl)pyrazole-4-carbonitrile Formula: C14H12BrF2N5O3 MolecularWeight: 416.177586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)N2C(=C(C=N2)C#N)C3OCC=CCO3)Br)OC(F)F

Isomeric SMILES

CN1C(=C(C(=N1)N2C(=C(C=N2)C#N)C3OCC=CCO3)Br)OC(F)F

InChI

InChI=1S/C14H12BrF2N5O3/c1-21-12(25-14(16)17)9(15)11(20-21)22-10(8(6-18)7-19-22)13-23-4-2-3-5-24-13/h2-3,7,13-14H,4-5H2,1H3