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

Systemtic Name: 3-fluoranyl-N-[2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrazol-3-yl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzamide CAS Name: 3-fluoro-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzamide Formula: C28H27FN5O2+ MolecularWeight: 484.544683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN5O2/c29-23-11-7-10-22(18-23)27(35)31-26-25(19-30-34(26)24-12-5-2-6-13-24)28(36)33-16-14-32(15-17-33)20-21-8-3-1-4-9-21/h1-13,18-19H,14-17,20H2,(H,31,35)/p+1