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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-fluorophenyl)-3-(m-tolyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-fluorophenyl)-3-(m-tolyl)pyrazol-4-yl]methanone Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O/c1-3-26-11-13-27(14-12-26)23(29)21-16-28(20-9-7-19(24)8-10-20)25-22(21)18-6-4-5-17(2)15-18/h4-10,15-16H,3,11-14H2,1-2H3/p+1