5-(1-adamantyl)-7-[bis(fluoranyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-(1-adamantyl)-7-[bis(fluoranyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-(1-adamantyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-(1-adamantyl)-7-(difluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-(1-adamantyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-(1-adamantyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H18F2N4 MolecularWeight: 328.359126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=NN5C(=C4)C(F)F)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=NN5C(=C4)C(F)F)C#N

InChI

InChI=1S/C18H18F2N4/c19-16(20)14-4-15(23-17-13(8-21)9-22-24(14)17)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,9-12,16H,1-3,5-7H2