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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzhydrylpiperazin-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-(diphenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine Formula: C33H35ClN5+ MolecularWeight: 537.1175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C33H34ClN5/c1-33(2,3)29-22-30(39-32(36-29)28(23-35-39)24-14-16-27(34)17-15-24)37-18-20-38(21-19-37)31(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-17,22-23,31H,18-21H2,1-3H3/p+1