(4-cyano-2-methoxy-phenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C20H17N3O4/c1-12(2)23-19(24)15-7-5-4-6-14(15)18(22-23)20(25)27-16-9-8-13(11-21)10-17(16)26-3/h4-10,12H,1-3H3