2-[4-[5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[5-tert-butyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[5-tert-butyl-3-(4-methylphenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[5-tert-butyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile Formula: C23H29N6+ MolecularWeight: 389.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CC#N)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CC#N)C(C)(C)C

InChI

InChI=1S/C23H28N6/c1-17-5-7-18(8-6-17)19-16-25-29-21(15-20(23(2,3)4)26-22(19)29)28-13-11-27(10-9-24)12-14-28/h5-8,15-16H,10-14H2,1-4H3/p+1