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

Systemtic Name: [3-chloranyl-5-phenyl-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)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: [3-chloro-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C25H22ClF3N5O+ MolecularWeight: 500.92329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C25H21ClF3N5O/c26-21-22(24(35)33-13-11-32(12-14-33)16-17-7-3-1-4-8-17)31-34-20(25(27,28)29)15-19(30-23(21)34)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/p+1