N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methyl-pyrazol-3-ylidene]-2-fluoranyl-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methyl-pyrazol-3-ylidene]-2-fluoranyl-3-(trifluoromethyl)benzamide Openeye Name: N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methyl-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide CAS Name: N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methyl-3-pyrazolylidene]-2-fluoro-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methylpyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide Traditional Name: N-[5-tert-butyl-2-(cyclopentylmethyl)-1-methyl-3-pyrazolin-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide Formula: C22H27F4N3O MolecularWeight: 425.462893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=O)C2=C(C(=CC=C2)C(F)(F)F)F)N(N1C)CC3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=O)C2=C(C(=CC=C2)C(F)(F)F)F)N(N1C)CC3CCCC3

InChI

InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3