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

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-methylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(m-tolyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-cyclohexyl-1-piperazin-4-iumyl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(m-tolyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C29H34N5+ MolecularWeight: 452.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3N4CC[NH+](CC4)C5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3N4CC[NH+](CC4)C5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C29H33N5/c1-22-9-8-12-24(19-22)27-20-28-30-26(23-10-4-2-5-11-23)21-29(34(28)31-27)33-17-15-32(16-18-33)25-13-6-3-7-14-25/h2,4-5,8-12,19-21,25H,3,6-7,13-18H2,1H3/p+1