2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C27H28N5O3+ MolecularWeight: 470.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c1-20-9-11-21(12-10-20)23-18-25(32(29-23)22-6-3-2-4-7-22)28-26(33)19-30-13-15-31(16-14-30)27(34)24-8-5-17-35-24/h2-12,17-18H,13-16,19H2,1H3,(H,28,33)/p+1