ethyl 2-[4-oxidanylidene-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]acetate CAS Name: 2-[4-oxo-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C22H17F3N4O4 MolecularWeight: 458.38999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H17F3N4O4/c1-2-32-19(30)11-17-13-7-3-4-8-14(13)21(31)29(27-17)12-18-26-20(28-33-18)15-9-5-6-10-16(15)22(23,24)25/h3-10H,2,11-12H2,1H3