2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C23H23FN6O4 MolecularWeight: 466.464923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H23FN6O4/c1-14-21(15(2)29(27-14)17-6-4-3-5-7-17)22-23(32)25-10-11-28(22)13-20(31)26-18-9-8-16(24)12-19(18)30(33)34/h3-9,12,22H,10-11,13H2,1-2H3,(H,25,32)(H,26,31)