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

Systemtic Name: 5-tert-butyl-7-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H33FN5O+ MolecularWeight: 474.592923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F)C5=CC=CC=C5

InChI

InChI=1S/C28H32FN5O/c1-28(2,3)25-17-26(34-27(31-25)22(18-30-34)21-8-6-5-7-9-21)33-14-12-32(13-15-33)19-20-10-11-24(35-4)23(29)16-20/h5-11,16-18H,12-15,19H2,1-4H3/p+1