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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=N3)C4=CC=C(C=C4)C

InChI

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