7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-cyclohexyl-1-piperazin-4-iumyl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H31FN5+ MolecularWeight: 456.577643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=NC4=CC(=NN43)C5=CC(=CC=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=NC4=CC(=NN43)C5=CC(=CC=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C28H30FN5/c29-23-11-7-10-22(18-23)26-19-27-30-25(21-8-3-1-4-9-21)20-28(34(27)31-26)33-16-14-32(15-17-33)24-12-5-2-6-13-24/h1,3-4,7-11,18-20,24H,2,5-6,12-17H2/p+1