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

Systemtic Name: 3,5-diphenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3,5-diphenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Formula: C29H28N5+ MolecularWeight: 446.56612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5/c1-4-10-23(11-5-1)22-32-16-18-33(19-17-32)28-20-27(25-14-8-3-9-15-25)31-29-26(21-30-34(28)29)24-12-6-2-7-13-24/h1-15,20-21H,16-19,22H2/p+1