(E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-[4-(trifluoromethyloxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-[4-(trifluoromethyloxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)-3-[4-(trifluoromethoxy)phenyl]acrylonitrile Formula: C17H15F3N4O MolecularWeight: 348.32241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C(=CC3=CC=C(C=C3)OC(F)(F)F)C#N

Isomeric SMILES

C1CCC2=NN=C(N2CC1)/C(=C/C3=CC=C(C=C3)OC(F)(F)F)/C#N

InChI

InChI=1S/C17H15F3N4O/c18-17(19,20)25-14-7-5-12(6-8-14)10-13(11-21)16-23-22-15-4-2-1-3-9-24(15)16/h5-8,10H,1-4,9H2/b13-10+