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

Systemtic Name: 2,5-dimethyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2,5-dimethyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-7-(4-phenethyl-1-piperazin-4-iumyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2,5-dimethyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2,5-dimethyl-7-(4-phenethylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CCC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CCC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5/c1-20-19-24(30-17-15-29(16-18-30)14-13-22-9-5-3-6-10-22)31-26(27-20)25(21(2)28-31)23-11-7-4-8-12-23/h3-12,19H,13-18H2,1-2H3/p+1