N-(2,5-diphenylpyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C26H26N6O/c33-26(20-30-15-17-31(18-16-30)24-13-7-8-14-27-24)28-25-19-23(21-9-3-1-4-10-21)29-32(25)22-11-5-2-6-12-22/h1-14,19H,15-18,20H2,(H,28,33)/p+1