[4-(1-adamantyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C28H29F4N5O MolecularWeight: 527.556373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)F)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)F)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H29F4N5O/c29-21-3-1-20(2-4-21)23-12-24(28(30,31)32)37-25(34-23)22(16-33-37)26(38)35-5-7-36(8-6-35)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-4,12,16-19H,5-11,13-15H2