[4-(2-adamantyl)piperazin-4-ium-1-yl]-[7-[bis(fluoranyl)methyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[7-[bis(fluoranyl)methyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C29H34F2N5O2+ MolecularWeight: 522.609366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C29H33F2N5O2/c1-38-22-4-2-19(3-5-22)24-15-25(27(30)31)36-28(33-24)23(16-32-36)29(37)35-8-6-34(7-9-35)26-20-11-17-10-18(13-20)14-21(26)12-17/h2-5,15-18,20-21,26-27H,6-14H2,1H3/p+1