(4Z)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-phenethylidene-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: (4Z)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-phenethylidene-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (4Z)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-phenethylidene-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (4Z)-N-[(1,5-dimethyl-3-pyrazolyl)methyl]-4-phenethylidene-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (4Z)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-phenethylidene-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (4Z)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-phenethylidene-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C22H26F3N3O2 MolecularWeight: 421.45595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=O)C2(CC(=CCC3=CC=CC=C3)CCCO2)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1C)CNC(=O)C2(C/C(=C\CC3=CC=CC=C3)/CCCO2)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O2/c1-16-13-19(27-28(16)2)15-26-20(29)21(22(23,24)25)14-18(9-6-12-30-21)11-10-17-7-4-3-5-8-17/h3-5,7-8,11,13H,6,9-10,12,14-15H2,1-2H3,(H,26,29)/b18-11-