2,5-dimethyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2,5-dimethyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5/c1-19-17-23(29-15-13-28(14-16-29)18-21-9-5-3-6-10-21)30-25(26-19)24(20(2)27-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3/p+1