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

Systemtic Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-(4-cyclopentyl-1-piperazin-4-iumyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H36N5+ MolecularWeight: 418.59754

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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)C5CCCC5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C26H35N5/c1-19-24(20-10-6-5-7-11-20)25-27-22(26(2,3)4)18-23(31(25)28-19)30-16-14-29(15-17-30)21-12-8-9-13-21/h5-7,10-11,18,21H,8-9,12-17H2,1-4H3/p+1