2-[4-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N)C4=CC=CC=C4)C

InChI

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