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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-fluoro-benzamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-4-fluorobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]-4-fluorobenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-fluoro-benzamide Formula: C23H25FN5O2+ MolecularWeight: 422.475303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O2/c1-2-27-12-14-28(15-13-27)23(31)20-16-25-29(19-6-4-3-5-7-19)21(20)26-22(30)17-8-10-18(24)11-9-17/h3-11,16H,2,12-15H2,1H3,(H,26,30)/p+1