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

Systemtic Name: methyl 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 4-oxo-3-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazine-1-carboxylate CAS Name: 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazine-1-carboxylic acid methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

InChI

InChI=1S/C20H16N4O4/c1-12-7-9-13(10-8-12)18-22-21-16(28-18)11-24-19(25)15-6-4-3-5-14(15)17(23-24)20(26)27-2/h3-10H,11H2,1-2H3