2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H27N5O2/c1-16-11-18(3)20(12-17(16)2)21-13-22(29(27-21)19-7-5-4-6-8-19)26-24(31)15-28-10-9-25-23(30)14-28/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,25,30)(H,26,31)/p+1