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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O4/c1-13(2)14-8-10-15(11-9-14)20-23-18(30-25-20)12-29-22(28)19-16-6-4-5-7-17(16)21(27)26(3)24-19/h4-11,13H,12H2,1-3H3