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

Systemtic Name: 3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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