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

Systemtic Name: N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(4-ethylphenyl)-2-phenyl-3-pyrazolyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-(4-ethylphenyl)-2-phenylpyrazol-3-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCNC(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-2-17-8-10-18(11-9-17)20-14-21(28(26-20)19-6-4-3-5-7-19)25-23(30)16-27-13-12-24-22(29)15-27/h3-11,14H,2,12-13,15-16H2,1H3,(H,24,29)(H,25,30)/p+1