(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (3-phenylisoxazol-5-yl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4/c1-14(2)25-21(26)18-11-7-6-10-17(18)20(23-25)22(27)28-13-16-12-19(24-29-16)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3