5-tert-butyl-2-methyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-2-methyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-(4-phenethyl-1-piperazin-4-iumyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C29H36N5+ MolecularWeight: 454.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H35N5/c1-22-27(24-13-9-6-10-14-24)28-30-25(29(2,3)4)21-26(34(28)31-22)33-19-17-32(18-20-33)16-15-23-11-7-5-8-12-23/h5-14,21H,15-20H2,1-4H3/p+1