5-tert-butyl-3-(4-chlorophenyl)-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine Formula: C27H31ClN5+ MolecularWeight: 461.02154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN5/c1-27(2,3)24-17-25(32-15-13-31(14-16-32)19-20-7-5-4-6-8-20)33-26(30-24)23(18-29-33)21-9-11-22(28)12-10-21/h4-12,17-18H,13-16,19H2,1-3H3/p+1