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

Systemtic Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-(4-cyclopentyl-1-piperazin-4-iumyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H34N5+ MolecularWeight: 404.57096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H33N5/c1-25(2,3)22-17-23(29-15-13-28(14-16-29)20-11-7-8-12-20)30-24(27-22)21(18-26-30)19-9-5-4-6-10-19/h4-6,9-10,17-18,20H,7-8,11-16H2,1-3H3/p+1