N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCCC2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCCC2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26FN5O2/c1-15-13-18(20(28)25-11-9-24(2)10-12-25)23-26(15)14-19(27)22-8-7-16-3-5-17(21)6-4-16/h3-6,13H,7-12,14H2,1-2H3,(H,22,27)/p+1