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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

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