7-(4-cyclopentylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-cyclopentylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-cyclopentyl-1-piperazin-4-iumyl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C30H36N5+ MolecularWeight: 466.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)N4CC[NH+](CC4)C5CCCC5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)N4CC[NH+](CC4)C5CCCC5)C)C6=CC=CC=C6

InChI

InChI=1S/C30H35N5/c1-22-27(21-24-11-5-3-6-12-24)30(34-19-17-33(18-20-34)26-15-9-10-16-26)35-29(31-22)28(23(2)32-35)25-13-7-4-8-14-25/h3-8,11-14,26H,9-10,15-21H2,1-2H3/p+1