(4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(3-fluorophenyl)-5-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-phenylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]methanone Formula: C22H24FN4O+ MolecularWeight: 379.450563

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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)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O/c1-2-25-11-13-26(14-12-25)22(28)20-16-24-27(19-10-6-9-18(23)15-19)21(20)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3/p+1