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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-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 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C24H24N4O4/c1-4-13-28-23(29)19-8-6-5-7-18(19)21(26-28)24(30)31-14-20-25-22(27-32-20)17-11-9-16(10-12-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3