5-(1-adamantyl)-3-bromanyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-(1-adamantyl)-3-bromanyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-(1-adamantyl)-3-bromo-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-(1-adamantyl)-3-bromo-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-(1-adamantyl)-3-bromo-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-(1-adamantyl)-3-bromo-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Formula: C18H19BrF3N3 MolecularWeight: 414.26277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1Br)C34CC5CC(C3)CC(C5)C4)C(F)(F)F

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1Br)C34CC5CC(C3)CC(C5)C4)C(F)(F)F

InChI

InChI=1S/C18H19BrF3N3/c1-9-15(19)16-23-13(5-14(18(20,21)22)25(16)24-9)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,10-12H,2-4,6-8H2,1H3