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

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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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)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-18-8-10-20(11-9-18)22-16-23(29(26-22)21-6-4-3-5-7-21)25-24(31)17-27-12-14-28(15-13-27)19(2)30/h3-11,16H,12-15,17H2,1-2H3,(H,25,31)/p+1