1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C21H17FN4O4 MolecularWeight: 408.382483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)F

InChI

InChI=1S/C21H17FN4O4/c1-11-8-9-13(10-16(11)22)18-23-19(30-25-18)12(2)29-21(28)17-14-6-4-5-7-15(14)20(27)26(3)24-17/h4-10,12H,1-3H3