[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: [5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C27H27F3N5O3+ MolecularWeight: 526.53019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H26F3N5O3/c1-37-22-9-8-19(14-23(22)38-2)20-15-24(27(28,29)30)35-25(31-20)16-21(32-35)26(36)34-12-10-33(11-13-34)17-18-6-4-3-5-7-18/h3-9,14-16H,10-13,17H2,1-2H3/p+1