3-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]azepin-2-imine

Systemtic Name: 3-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]azepin-2-imine Openeye Name: 3-[[3-(trifluoromethyl)isoxazol-4-yl]methyl]azepin-2-imine CAS Name: 3-[[3-(trifluoromethyl)-4-isoxazolyl]methyl]-2-azepinimine IUPAC Name: 3-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]azepin-2-imine Traditional Name: [3-[[3-(trifluoromethyl)isoxazol-4-yl]methyl]azepin-2-ylidene]amine Formula: C11H8F3N3O MolecularWeight: 255.19593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=N)C(=C1)CC2=CON=C2C(F)(F)F

Isomeric SMILES

C1=CC=NC(=N)C(=C1)CC2=CON=C2C(F)(F)F

InChI

InChI=1S/C11H8F3N3O/c12-11(13,14)9-8(6-18-17-9)5-7-3-1-2-4-16-10(7)15/h1-4,6,15H,5H2