2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C23H25FN5O2+ MolecularWeight: 422.475303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN5O2/c1-15-21(16(2)29(27-15)19-9-4-3-5-10-19)22-23(31)25-11-12-28(22)14-20(30)26-18-8-6-7-17(24)13-18/h3-10,13,22H,11-12,14H2,1-2H3,(H,25,31)(H,26,30)/p+1/t22-/m1/s1