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

Systemtic Name: 4-bromanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]benzamide Openeye Name: 4-bromo-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide CAS Name: 4-bromo-N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: 4-bromo-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]benzamide Traditional Name: 4-bromo-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]benzamide Formula: C22H23BrN5O2+ MolecularWeight: 469.35432

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O2/c1-26-11-13-27(14-12-26)22(30)19-15-24-28(18-5-3-2-4-6-18)20(19)25-21(29)16-7-9-17(23)10-8-16/h2-10,15H,11-14H2,1H3,(H,25,29)/p+1