[4-(1-adamantyl)piperazin-1-yl]-[5-(4-bromophenyl)-3-chloranyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-bromophenyl)-3-chloranyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C28H28BrClF3N5O MolecularWeight: 622.90703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Br)C(F)(F)F)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Br)C(F)(F)F)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H28BrClF3N5O/c29-20-3-1-19(2-4-20)21-12-22(28(31,32)33)38-25(34-21)23(30)24(35-38)26(39)36-5-7-37(8-6-36)27-13-16-9-17(14-27)11-18(10-16)15-27/h1-4,12,16-18H,5-11,13-15H2