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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(ON=C3C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(ON=C3C)C

InChI

InChI=1S/C21H25N3O4/c1-4-5-6-9-12-24-20(25)17-11-8-7-10-16(17)19(22-24)21(26)27-13-18-14(2)23-28-15(18)3/h7-8,10-11H,4-6,9,12-13H2,1-3H3