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

Systemtic Name: 5-tert-butyl-7-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C33H36N5+ MolecularWeight: 502.67244

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C33H35N5/c1-33(2,3)29-23-30(38-32(35-29)28(24-34-38)25-13-7-4-8-14-25)36-19-21-37(22-20-36)31(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,31H,19-22H2,1-3H3/p+1