(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(ON=C3C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(ON=C3C)C

InChI

InChI=1S/C20H23N3O4/c1-4-5-8-11-23-19(24)16-10-7-6-9-15(16)18(21-23)20(25)26-12-17-13(2)22-27-14(17)3/h6-7,9-10H,4-5,8,11-12H2,1-3H3