3-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide Formula: C22H23FN5O2+ MolecularWeight: 408.448723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN5O2/c1-26-10-12-27(13-11-26)22(30)19-15-24-28(18-8-3-2-4-9-18)20(19)25-21(29)16-6-5-7-17(23)14-16/h2-9,14-15H,10-13H2,1H3,(H,25,29)/p+1