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

Systemtic Name: (4Z)-4-butylidene-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (4Z)-4-butylidene-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (4Z)-4-butylidene-N-[(1,5-dimethyl-3-pyrazolyl)methyl]-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (4Z)-4-butylidene-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (4Z)-4-butylidene-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C18H26F3N3O2 MolecularWeight: 373.41315

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1CCCOC(C1)(C(=O)NCC2=NN(C(=C2)C)C)C(F)(F)F

Isomeric SMILES

CCC/C=C\1/CCCOC(C1)(C(=O)NCC2=NN(C(=C2)C)C)C(F)(F)F

InChI

InChI=1S/C18H26F3N3O2/c1-4-5-7-14-8-6-9-26-17(11-14,18(19,20)21)16(25)22-12-15-10-13(2)24(3)23-15/h7,10H,4-6,8-9,11-12H2,1-3H3,(H,22,25)/b14-7-