2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenyl-ethanenitrile

Systemtic Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenyl-ethanenitrile Openeye Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenyl-acetonitrile CAS Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetonitrile IUPAC Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-phenylacetonitrile Traditional Name: 2-[5,7-dipropyl-3-(trifluoromethyl)indoxazen-6-yl]oxy-2-phenyl-acetonitrile Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC(C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21F3N2O2/c1-3-8-15-12-17-20(29-27-21(17)22(23,24)25)16(9-4-2)19(15)28-18(13-26)14-10-6-5-7-11-14/h5-7,10-12,18H,3-4,8-9H2,1-2H3