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

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-16-7-9-17(10-8-16)19-13-20(27(25-19)18-5-3-2-4-6-18)24-22(29)15-26-12-11-23-21(28)14-26/h2-10,13H,11-12,14-15H2,1H3,(H,23,28)(H,24,29)/p+1