2-(4-fluorophenyl)-5-phenyl-7-(4-propylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-(4-fluorophenyl)-5-phenyl-7-(4-propylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-(4-fluorophenyl)-5-phenyl-7-(4-propylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-(4-fluorophenyl)-5-phenyl-7-(4-propyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-(4-fluorophenyl)-5-phenyl-7-(4-propylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-(4-fluorophenyl)-5-phenyl-7-(4-propylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C25H27FN5+ MolecularWeight: 416.513783

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H26FN5/c1-2-12-29-13-15-30(16-14-29)25-18-22(19-6-4-3-5-7-19)27-24-17-23(28-31(24)25)20-8-10-21(26)11-9-20/h3-11,17-18H,2,12-16H2,1H3/p+1